马烯雌酮
TL;DR: 马烯雌酮 (CAS 474-87-3) is a chemical compound with molecular formula C18H20O2 and molecular weight 268.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
马烯雌酮
(9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: equilin, 7-Dehydroestrone, Dihydroequilenin, 8-dehydroestrone, Equilin (USP)
| Molecular Formula | C18H20O2 |
|---|---|
| Molecular Weight | 268.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.14633 |
| Heavy Atoms | 20 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 474-87-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)O)[C@@H]1CCC2=O |
| InChIKey | WKRLQDKEXYKHJB-HFTRVMKXSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
马烯雌酮 (CAS 474-87-3), with molecular formula C18H20O2 and molecular weight 268.15 g/mol. IUPAC: (9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 马烯雌酮
Property Insights of 马烯雌酮
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 马烯雌酮. With a topological polar surface area (TPSA) of 37.3 Ų, 马烯雌酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 马烯雌酮 has 1 hydrogen bond donor(s) and 2 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 马烯雌酮?
The CAS number of 马烯雌酮 is 474-87-3.
What is the molecular formula of 马烯雌酮?
The molecular formula of 马烯雌酮 is C18H20O2.
What is the molecular weight of 马烯雌酮?
The molecular weight of 马烯雌酮 is 268.15 g/mol.
Where can I buy 马烯雌酮?
You can request a quote for 马烯雌酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 马烯雌酮?
Yes, KEHONG BIO provides custom synthesis services for 马烯雌酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.