4-Methoxyequilenin
TL;DR: 4-Methoxyequilenin (CAS 116506-50-4) is a chemical compound with molecular formula C19H20O3 and molecular weight 296.14124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(13S,14S)-3-hydroxy-4-methoxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
Also Known As: 4-Methoxyequilenin, 3-Hydroxy-4-methoxyestra-1,3,5,7,9-pentaen-17-one, J1.560.122A, Estra-1,3,5,7,9-pentaen-17-one, 3-hydroxy-4-methoxy-, 4-Methoxy-3-hydroxyestra-1,3,5,7,9-pentene-17-one
Technical Specifications
| Molecular Formula | C19H20O3 |
| Molecular Weight | 296.14124 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.14124 Da |
| Heavy Atoms | 22 |
| Complexity | 462.0 |
| SMILES | C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4OC)O |
| InChIKey | GOBGQKKPBROPRC-KXBFYZLASA-N |
Chemical Property Profile of 4-Methoxyequilenin
Property Insights of 4-Methoxyequilenin
The XLogP value of 3.4 indicates that 4-Methoxyequilenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Methoxyequilenin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxyequilenin has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methoxyequilenin?
The CAS number of 4-Methoxyequilenin is 116506-50-4.
What is the molecular formula of 4-Methoxyequilenin?
The molecular formula of 4-Methoxyequilenin is C19H20O3.
What is the molecular weight of 4-Methoxyequilenin?
The molecular weight of 4-Methoxyequilenin is 296.14124 g/mol.
Where can I buy 4-Methoxyequilenin?
You can request a quote for 4-Methoxyequilenin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methoxyequilenin?
Yes, CoreyChem provides custom synthesis services for 4-Methoxyequilenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.