Equilenin methyl ether
TL;DR: Equilenin methyl ether (CAS 4820-56-8) is a chemical compound with molecular formula C19H20O2 and molecular weight 280.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
Also Known As: O-Methylequilenin, Equilenin methyl ether, 3-O-methylequilinine, dl-Equilenin methyl ether, Equilenin 3-methyl ether
| Molecular Formula | C19H20O2 |
|---|---|
| Molecular Weight | 280.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.14633 |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 4820-56-8 |
|---|---|
| SMILES | CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)OC |
| InChIKey | LAFFTPKGTZPBMG-UHFFFAOYSA-N |
Product Overview
Equilenin methyl ether (CAS 4820-56-8), with molecular formula C19H20O2 and molecular weight 280.15 g/mol. IUPAC: 3-methoxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of Equilenin methyl ether
Property Insights of Equilenin methyl ether
The XLogP value of 3.8 indicates that Equilenin methyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Equilenin methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Equilenin methyl ether has 0 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 Equilenin methyl ether?
The CAS number of Equilenin methyl ether is 4820-56-8.
What is the molecular formula of Equilenin methyl ether?
The molecular formula of Equilenin methyl ether is C19H20O2.
What is the molecular weight of Equilenin methyl ether?
The molecular weight of Equilenin methyl ether is 280.15 g/mol.
Where can I buy Equilenin methyl ether?
You can request a quote for Equilenin methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Equilenin methyl ether?
Yes, KEHONG BIO provides custom synthesis services for Equilenin methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.