硫酸雌酮
TL;DR: 硫酸雌酮 (CAS 481-97-0) is a chemical compound with molecular formula C18H22O5S and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸雌酮
(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate
Also Known As: Estrone sulfate, Estrone 3-sulfate, Premarin, Estrone sulphate, estrone-3-sulfate
| Molecular Formula | C18H22O5S |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.1188 |
| Heavy Atoms | 24 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 481-97-0 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O |
| InChIKey | JKKFKPJIXZFSSB-UHFFFAOYSA-N |
Product Overview
硫酸雌酮 (CAS 481-97-0), with molecular formula C18H22O5S and molecular weight 350.12 g/mol. IUPAC: (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate.
Chemical Property Profile of 硫酸雌酮
Property Insights of 硫酸雌酮
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫酸雌酮. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫酸雌酮. Following Lipinski's Rule of Five, 硫酸雌酮 has 1 hydrogen bond donor(s) and 5 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 硫酸雌酮?
The CAS number of 硫酸雌酮 is 481-97-0.
What is the molecular formula of 硫酸雌酮?
The molecular formula of 硫酸雌酮 is C18H22O5S.
What is the molecular weight of 硫酸雌酮?
The molecular weight of 硫酸雌酮 is 350.12 g/mol.
Where can I buy 硫酸雌酮?
You can request a quote for 硫酸雌酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸雌酮?
Yes, KEHONG BIO provides custom synthesis services for 硫酸雌酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.