马萘雌酮
TL;DR: 马萘雌酮 (CAS 517-09-9) is a chemical compound with molecular formula C18H18O2 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
马萘雌酮
3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
Also Known As: Isoequilenin, EQUILENIN, Equilenine, Equilenina, d-Equilenin
| Molecular Formula | C18H18O2 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.13068 |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 517-09-9 |
|---|---|
| SMILES | CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)O |
| InChIKey | PDRGHUMCVRDZLQ-UHFFFAOYSA-N |
Product Overview
马萘雌酮 (CAS 517-09-9), with molecular formula C18H18O2 and molecular weight 266.13 g/mol. IUPAC: 3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 马萘雌酮
Property Insights of 马萘雌酮
The XLogP value of 3.5 indicates that 马萘雌酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 马萘雌酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 马萘雌酮 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 马萘雌酮?
The CAS number of 马萘雌酮 is 517-09-9.
What is the molecular formula of 马萘雌酮?
The molecular formula of 马萘雌酮 is C18H18O2.
What is the molecular weight of 马萘雌酮?
The molecular weight of 马萘雌酮 is 266.13 g/mol.
Where can I buy 马萘雌酮?
You can request a quote for 马萘雌酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 马萘雌酮?
Yes, KEHONG BIO provides custom synthesis services for 马萘雌酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.