Ethinylestradiol sulfamate
TL;DR: Ethinylestradiol sulfamate (CAS 91490-65-2) is a chemical compound with molecular formula C20H25NO4S and molecular weight 375.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate
Also Known As: ethinylestradiol sulfamate, 17-Ethynyl-17beta-estradiol 3-sulfamate, 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 3-sulfamate, (17alpha)-, ((8R,9S,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta(a)phenanthren-3-yl) sulfamate, (17alpha)-17-Hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl sulfamate
| Molecular Formula | C20H25NO4S |
|---|---|
| Molecular Weight | 375.15 g/mol |
| LogP | 2.4893 |
| Topological Polar Surface Area | 89.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.15042 |
| Heavy Atoms | 26 |
| Complexity | 889.5625 |
Chemical Identifiers
| CAS Number | 91490-65-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OS(=O)(=O)N |
Product Overview
Ethinylestradiol sulfamate (CAS 91490-65-2), with molecular formula C20H25NO4S and molecular weight 375.15 g/mol. IUPAC: [(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate.
Chemical Property Profile of Ethinylestradiol sulfamate
Property Insights of Ethinylestradiol sulfamate
The XLogP value of 2.4893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethinylestradiol sulfamate. The TPSA of 89.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethinylestradiol sulfamate. Following Lipinski's Rule of Five, Ethinylestradiol sulfamate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethinylestradiol sulfamate?
The CAS number of Ethinylestradiol sulfamate is 91490-65-2.
What is the molecular formula of Ethinylestradiol sulfamate?
The molecular formula of Ethinylestradiol sulfamate is C20H25NO4S.
What is the molecular weight of Ethinylestradiol sulfamate?
The molecular weight of Ethinylestradiol sulfamate is 375.15 g/mol.
Where can I buy Ethinylestradiol sulfamate?
You can request a quote for Ethinylestradiol sulfamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethinylestradiol sulfamate?
Yes, KEHONG BIO provides custom synthesis services for Ethinylestradiol sulfamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.