Products Categories
CAS No.: | 3137-73-3 |
---|---|
Name: | 6-alpha-methyl-20-oxopregn-4-en-17-alpha-yl acetate |
Molecular Structure: | |
Formula: | C24H36O3 |
Molecular Weight: | 372.548 |
Synonyms: | Pregn-4-en-20-one,17-hydroxy-6a-methyl-,acetate (7CI,8CI);17-Hydroxy-6a-methylpregn-4-en-20-one acetate;3-Deoxy-17a-acetoxy-6-methylpregnenone;3-Deoxy-6a-methyl-17a-acetoxyprogesterone;Anagestoneacetate;Anatropin;NSC 73880;ORF 1658;(6alpha)-6-methyl-20-oxopregn-4-en-17-yl acetate;(6α)-6-Methyl-20-oxopregn-4-en-17-yl acetate;17-Hydroxy-6a-methylpregn-4-en-20-one Acetate;Anatropin;Pregn-4-en-20-one, 17- (acetyloxy)-6-methyl-, (6α)-; |
EINECS: | 221-535-8 |
Density: | 1.08 g/cm3 |
Melting Point: | 173-175° |
Boiling Point: | 456.8 °C at 760 mmHg |
Flash Point: | 194.8 °C |
PSA: | 43.37000 |
LogP: | 5.47620 |
What can I do for you?
Get Best Price
The Pregn-4-en-20-one,17-(acetyloxy)-6-methyl-, (6α)-, with the CAS registry number 3137-73-3 and EINECS registry number 221-535-8, has the systematic name of (6alpha)-6-methyl-20-oxopregn-4-en-17-yl acetate. And the molecular formula of the chemical is C24H36O3.
The characteristics of Pregn-4-en-20-one,17-(acetyloxy)-6-methyl-, (6α)- are as followings: (1)ACD/LogP: 6.55; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.532; (8)Molar Refractivity: 106.59 cm3; (9)Molar Volume: 343.9 cm3; (10)Polarizability: 42.25 10-24cm3; (11)Surface Tension: 40.6 dyne/cm; (12)Density: 1.08 g/cm3; (13)Flash Point: 194.8 °C; (14)Enthalpy of Vaporization: 71.68 kJ/mol; (15)Boiling Point: 456.8 °C at 760 mmHg; (16)Vapour Pressure: 1.57E-08 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C([C@@]1(OC(=O)C)CC[C@H]2[C@H]4[C@H](CC[C@]12C)[C@@]3(\C(=C/CCC3)[C@@H](C)C4)C)C
(2)InChI: InChI=1/C24H36O3/c1-15-14-18-20(22(4)11-7-6-8-19(15)22)9-12-23(5)21(18)10-13-24(23,16(2)25)27-17(3)26/h8,15,18,20-21H,6-7,9-14H2,1-5H3/t15-,18+,20-,21-,22-,23-,24-/m0/s1
(3)InChIKey: KDLNOQQQEBKBQM-DICPTYMLBR