Products Categories
| CAS No.: | 566-48-3 |
|---|---|
| Name: | Formestane |
| Molecular Structure: | |
|
|
|
| Formula: | C19H26O3 |
| Molecular Weight: | 302.414 |
| Synonyms: | 4-HAD;4-Hydroxyandrost-4-ene-3,17-dione;4-Hydroxyandrostene-3,17-dione;4-Hydroxyandrostenedione;4-OHA;CRC 82/01;Lentaron;NSC 282175; |
| EINECS: | 625-331-3 |
| Density: | 1.19 g/cm3 |
| Melting Point: | 199-202 °C |
| Boiling Point: | 475.4 °C at 760 mmHg |
| Flash Point: | 255.4 °C |
| Appearance: | Needles |
| Hazard Symbols: |
 T
|
| Risk Codes: | 60 |
| Safety: | 53-36/37/39-45 |
| PSA: | 54.37000 |
| LogP: | 3.97310 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 77057-73-9
4,5-epoxyandrostane-3,17-dione
- 566-48-3
4-hydroxyandrost-4-ene-3,17-dione
| Conditions | Yield |
|---|---|
| With sulfuric acid; silica gel; acetic acid at 70℃; for 0.05h; | 86% |
| With boron trifluoride diethyl etherate In benzene for 19h; Ambient temperature; | 47% |
| With formic acid for 0.75h; Heating; | 45% |
| Multi-step reaction with 2 steps 1: 62 percent / aq. sodium hydroxide / 3 h / Heating 2: 53 percent / hydrochloric acid / dioxane / 24 h / Heating View Scheme |
- 180303-17-7
3-hydroxy-5α-androst-2-ene-4,17-dione
- 566-48-3
4-hydroxyandrost-4-ene-3,17-dione
| Conditions | Yield |
|---|---|
| With sodium In methanol for 1h; Ambient temperature; | 80% |
| With sodium In methanol at 20℃; for 1h; | 80% |
| With sodium methylate In methanol |
- 566-48-3
4-hydroxyandrost-4-ene-3,17-dione
| Conditions | Yield |
|---|---|
| With sodium In methanol for 1h; Ambient temperature; | 80% |
- 434939-05-6
3β,4α-dihydroxy-5β-androstan-17-one
- 566-48-3
4-hydroxyandrost-4-ene-3,17-dione
| Conditions | Yield |
|---|---|
| Stage #1: 3β,4α-dihydroxy-5β-androstan-17-one With dimethyl sulfoxide; triethylamine; trifluoroacetic anhydride In dichloromethane at -60℃; for 3h; Stage #2: With sodium In methanol at 20℃; for 3h; | 80% |
| Stage #1: 3β,4α-dihydroxy-5β-androstan-17-one With dimethyl sulfoxide; triethylamine; trifluoroacetic anhydride at -60℃; for 3.25h; Swern oxidation; Stage #2: With sodium methylate In methanol | |
| Multi-step reaction with 2 steps 1: TFAA; Et3N; DMSO / CH2Cl2 / 3 h / -60 °C 2: 80 percent / Na / methanol / 1 h / 20 °C View Scheme |
- 434939-09-0
3-hydroxy-5β-androst-2-ene-4,17-dione
- 566-48-3
4-hydroxyandrost-4-ene-3,17-dione
| Conditions | Yield |
|---|---|
| With sodium In methanol at 20℃; for 1h; | 80% |
- 501433-34-7
5α/β-androst-3-en-17-one
A
- 63-05-8
Androstenedione
B
- 1229-12-5
androstane-3,17-dione
C
- 566-48-3
4-hydroxyandrost-4-ene-3,17-dione
| Conditions | Yield |
|---|---|
| Multistep reaction; | A n/a B n/a C 54% |
- 20986-46-3
4-methoxy-4-androstene-3,17-dione
- 566-48-3
4-hydroxyandrost-4-ene-3,17-dione
| Conditions | Yield |
|---|---|
| With hydrogenchloride In 1,4-dioxane for 24h; Heating; | 53% |
- 64-19-7
acetic acid
- 77057-73-9
4,5-epoxyandrostane-3,17-dione
A
- 2241-85-2
2α-acetoxyandrost-4-ene-3,17-dione
B
- 566-48-3
4-hydroxyandrost-4-ene-3,17-dione
C
- 571-17-5
2alpha-Hydroxyandrost-4-ene-3,17-dione
D
- 88509-26-6
4-hydroxyandrost-4,9(11)-diene-3,17-dione
| Conditions | Yield |
|---|---|
| With sulfuric acid a) RT, 4 h, b) 4 deg C, 12 h; Further byproducts given; | A 23% B 52% C 0.58 g D 0.7 g |
- 64-19-7
acetic acid
- 77057-73-9
4,5-epoxyandrostane-3,17-dione
A
- 566-48-3
4-hydroxyandrost-4-ene-3,17-dione
B
- 571-17-5
2alpha-Hydroxyandrost-4-ene-3,17-dione
C
- 88509-26-6
4-hydroxyandrost-4,9(11)-diene-3,17-dione
D
- 140223-19-4
4α-acetoxy-5α-hydroxyandrostane-3,17-dione
| Conditions | Yield |
|---|---|
| With sulfuric acid a) RT, 4h,b) 4 deg C, 12 h; Further byproducts given; | A 52% B 0.58 g C 0.7 g D 3% |
- 77057-73-9
4,5-epoxyandrostane-3,17-dione
A
- 2241-85-2
2α-acetoxyandrost-4-ene-3,17-dione
B
- 566-48-3
4-hydroxyandrost-4-ene-3,17-dione
C
- 571-17-5
2alpha-Hydroxyandrost-4-ene-3,17-dione
D
- 88509-26-6
4-hydroxyandrost-4,9(11)-diene-3,17-dione
| Conditions | Yield |
|---|---|
| With sulfuric acid In acetic acid a) RT, 4 h, b) 4 deg C, 12 h; Further byproducts given; | A 23% B 52% C 0.58 g D 0.7 g |
- 95-50-1Benzene,1,2-dichloro-
- 1759-53-1Cyclopropanecarboxylicacid
- 26386-88-9Phosphorazidic acid,diphenyl ester
- 485-47-2Ninhydrin hydrate
- 109-43-3Dibutyl sebacate
- 112811-72-01-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
- 850649-62-6Alogliptin benzoate
- 593-85-1Guanidine carbonate
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
What can I do for you?
Get Best Price
Specification
The Formestane, with the CAS registry number 566-48-3, is also known as 4-Hydroxyandrostenedione. It belongs to the product categories of Pharmaceutical Raw Materials; Miscellaneous Biochemicals; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals; Steroids. This chemical's molecular formula is C19H26O3 and molecular weight is 302.40794. Its IUPAC name is called (8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione. it can be used as antitumor drug and aromatase inhibitor.
Physical properties of Formestane: (1)ACD/LogP: 2.66; (2)ACD/LogD (pH 5.5): 2.66; (3)ACD/LogD (pH 7.4): 2.66; (4)ACD/BCF (pH 5.5): 61.97; (5)ACD/BCF (pH 7.4): 61.22; (6)ACD/KOC (pH 5.5): 667.45; (7)ACD/KOC (pH 7.4): 659.45; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.569; (12)Molar Refractivity: 83.02 cm3; (13)Molar Volume: 253.1 cm3; (14)Surface Tension: 48.2 dyne/cm; (15)Density: 1.19 g/cm3; (16)Flash Point: 255.4 °C; (17)Enthalpy of Vaporization: 85.18 kJ/mol; (18)Boiling Point: 475.4 °C at 760 mmHg; (19)Vapour Pressure: 4.91E-11 mmHg at 25°C.
Preparation: this chemical can be prepared by 5-epoxy-5α-hsiung (steroid) alkyl-3,17-dione and methanol. This reaction will need CH3COOH, dichloromethane and hexane / ethyl acetate. The yield is about 47%.
When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It also may impair fertility. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC12CCC(=O)C(=C1CCC3C2CCC4(C3CCC4=O)C)O
(2)Isomeric SMILES: C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
(3)InChI: InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,22H,3-10H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1
(4)InChIKey: OSVMTWJCGUFAOD-KZQROQTASA-N