Estradiol sulfamate
TL;DR: Estradiol sulfamate (CAS 172377-52-5) is a chemical compound with molecular formula C18H25NO4S and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate
Also Known As: Estradiol 3-sulfamate, estradiol sulfamate, Estradiol-3-O-sulfamate, E2MATE cpd, estradiol-3-sulfamate
| Molecular Formula | C18H25NO4S |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 2.4859 |
| Topological Polar Surface Area | 89.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.15042 |
| Heavy Atoms | 24 |
| Complexity | 762.2823 |
Chemical Identifiers
| CAS Number | 172377-52-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OS(=O)(=O)N |
Product Overview
Estradiol sulfamate (CAS 172377-52-5), with molecular formula C18H25NO4S and molecular weight 351.15 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate.
Chemical Property Profile of Estradiol sulfamate
Property Insights of Estradiol sulfamate
The XLogP value of 2.4859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estradiol sulfamate. The TPSA of 89.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Estradiol sulfamate. Following Lipinski's Rule of Five, Estradiol 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 Estradiol sulfamate?
The CAS number of Estradiol sulfamate is 172377-52-5.
What is the molecular formula of Estradiol sulfamate?
The molecular formula of Estradiol sulfamate is C18H25NO4S.
What is the molecular weight of Estradiol sulfamate?
The molecular weight of Estradiol sulfamate is 351.15 g/mol.
Where can I buy Estradiol sulfamate?
You can request a quote for Estradiol sulfamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol sulfamate?
Yes, KEHONG BIO provides custom synthesis services for Estradiol sulfamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.