2-Methoxyequilin
TL;DR: 2-Methoxyequilin (CAS 116506-46-8) is a chemical compound with molecular formula C19H22O3 and molecular weight 298.1569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 2-Methoxyequilin, J1.834.770I, 3-Hydroxy-2-methoxyestra-1,3,5(10),7-tetraen-17-one, Estra-1,3,5(10),7-tetraen-17-one, 3-hydroxy-2-methoxy-, 2-methoxy-3-hydroxyestra-1,3,5(10),7-tetraen-17-one
Technical Specifications
| Molecular Formula | C19H22O3 |
| Molecular Weight | 298.1569 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.1569 Da |
| Heavy Atoms | 22 |
| Complexity | 511.0 |
| SMILES | C[C@]12CC[C@H]3C(=CCC4=CC(=C(C=C34)OC)O)[C@@H]1CCC2=O |
| InChIKey | SDAPOCMGOIRGRQ-ODYMNIRHSA-N |
Chemical Property Profile of 2-Methoxyequilin
Property Insights of 2-Methoxyequilin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyequilin. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Methoxyequilin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxyequilin 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 2-Methoxyequilin?
The CAS number of 2-Methoxyequilin is 116506-46-8.
What is the molecular formula of 2-Methoxyequilin?
The molecular formula of 2-Methoxyequilin is C19H22O3.
What is the molecular weight of 2-Methoxyequilin?
The molecular weight of 2-Methoxyequilin is 298.1569 g/mol.
Where can I buy 2-Methoxyequilin?
You can request a quote for 2-Methoxyequilin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methoxyequilin?
Yes, CoreyChem provides custom synthesis services for 2-Methoxyequilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.