Products Categories
| CAS No.: | 211513-37-0 |
|---|---|
| Name: | JTT-705 |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C23H35NO2S |
| Molecular Weight: | 389.602 |
| Synonyms: | S-[2-[[1-(2-Ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate; |
| Density: | 1.066 g/cm3 |
| Melting Point: | 63-63.5 °C |
| Boiling Point: | 528.912 °C at 760 mmHg |
| Flash Point: | 273.676 °C |
| PSA: | 71.47000 |
| LogP: | 6.74960 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
What can I do for you?
Get Best Price
Specification
The Propanethioic acid,2-methyl-, S-[2-[[[1-(2-ethylbutyl)cyclohexyl]carbonyl]amino]phenyl] ester, with the CAS registry number 211513-37-0, is also known as Dalcetrapib. It belongs to the classification codes of Anticholesteremic Agents; Preventing Cardiovascular Events in CHD Patients and Slowing Progression of Atherosclerosis. This chemical's molecular formula is C23H35NO2S and molecular weight is 389.59. What's more, both its IUPAC name and systematic name are the same which is called S-[2-[[1-(2-Ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate. It is a CETP inhibitor.
Physical properties about Propanethioic acid,2-methyl-, S-[2-[[[1-(2-ethylbutyl)cyclohexyl]carbonyl]amino]phenyl] ester are: (1)ACD/LogP: 6.826; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.83; (4)ACD/LogD (pH 7.4): 6.83; (5)ACD/BCF (pH 5.5): 90758.47; (6)ACD/BCF (pH 7.4): 90758.47; (7)ACD/KOC (pH 5.5): 123150.20; (8)ACD/KOC (pH 7.4): 123150.20; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 71.47 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 115.284 cm3; (15)Molar Volume: 365.606 cm3; (16) Polarizability: 45.702×10-24cm3; (17)Surface Tension: 43.095 dyne/cm; (18)Density: 1.066 g/cm3; (19)Flash Point: 273.676 °C; (20)Enthalpy of Vaporization: 80.384 kJ/mol; (21)Boiling Point: 528.912 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Sc1ccccc1NC(=O)C2(CC(CC)CC)CCCCC2)C(C)C
(2) InChI: InChI=1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26)
(3) InChIKey: YZQLWPMZQVHJED-UHFFFAOYSA-N