Nilestriol supplier | CasNO.39791-20-3

Name
Nilestriol
EINECS
CAS No. 39791-20-3
Article Data5
CAS DataBase
Density 1.212 g/cm³
Solubility
Melting Point 162-165 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
Formula C₂₅H₃₂O₃
Boiling Point 521.732 °C at 760 mmHg
Molecular Weight 380.527
Flash Point 269.334 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(Cyclopentyloxy)-17alpha-ethinyl-1,3,5(10)-estratrien-16alpha,17beta-diol;Nylestriol;19-Norpregna-1,3,5(10)-trien-20-yne-16,17-diol,3-(cyclopentyloxy)-, (16a,17a)-;17alpha-Ethynylestra-1,3,5(10)-triene-3,16alpha,17beta-triol 3-cyclopentyl ether;
PSA 49.69000
LogP 4.19920

Nilestriol Specification

The Nilestriol, with the CAS registry number 39791-20-3, is also known as 3-(Cyclopentyloxy)-17alpha-ethinyl-1,3,5(10)-estratrien-16alpha,17beta-diol. This chemical's molecular formula is C₂₅H₃₂O₃ and molecular weight is 380.52. What's more, its systematic name is (16α,17β)-3-(Cyclopentyloxy)-17-ethynylestra-1,3,5(10)-triene-16,17-diol. Its classification code is Estrogen. This chemical is estrogenic hormone medicine, and it is used to treat involutional climacterium condensation disease caused for the lack of estrogen.

Physical properties of Nilestriol are: (1)ACD/LogP: 4.976; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.98; (4)ACD/LogD (pH 7.4): 4.98; (5)ACD/BCF (pH 5.5): 3564.20; (6)ACD/BCF (pH 7.4): 3564.18; (7)ACD/KOC (pH 5.5): 12136.37; (8)ACD/KOC (pH 7.4): 12136.29; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.69 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 109.076 cm³; (15)Molar Volume: 313.867 cm³; (16)Polarizability: 43.241×10^-24cm³; (17)Surface Tension: 56.26 dyne/cm; (18)Density: 1.212 g/cm³; (19)Flash Point: 269.334 °C; (20)Enthalpy of Vaporization: 83.694 kJ/mol; (21)Boiling Point: 521.732 °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(c1ccc2c(c1)CC[C@H]3[C@@H]4C[C@@H](O)[C@](C#C)(O)[C@@]4(C)CC[C@H]23)C5CCCC5
(2)Std. InChI: InChI=1S/C25H32O3/c1-3-25(27)23(26)15-22-21-10-8-16-14-18(28-17-6-4-5-7-17)9-11-19(16)20(21)12-13-24(22,25)2/h1,9,11,14,17,20-23,26-27H,4-8,10,12-13,15H2,2H3/t20-,21-,22+,23-,24+,25+/m1/s1
(3)Std. InChIKey: CHZJRGNDJLJLAW-RIQJQHKOSA-N

Product Name

Nilestriol

Nilestriol Specification

Related Products

Hot Products