16-Hydroxy-equilenin
TL;DR: 16-Hydroxy-equilenin (CAS 131944-03-1) is a chemical compound with molecular formula C18H18O3 and molecular weight 282.12558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(13S,14S,16R)-3,16-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
Also Known As: 16-Hydroxyequilenin, 16-Hydroxy-equilenin, 3,16-Dihydroxyestra-1(10),2,4,6,8-pentaen-17-one, 3,16alpha-Dihydroxyestra-1(10),2,4,6,8-pentaen-17-one, (13S,14S,16R)-3,16-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H18O3 |
| Molecular Weight | 282.12558 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.12558 Da |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
| SMILES | C[C@]12CCC3=C([C@@H]1C[C@H](C2=O)O)C=CC4=C3C=CC(=C4)O |
| InChIKey | LQWLXDFIJGWIMM-JZXOWHBKSA-N |
Chemical Property Profile of 16-Hydroxy-equilenin
Property Insights of 16-Hydroxy-equilenin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-Hydroxy-equilenin. With a topological polar surface area (TPSA) of 57.5 Ų, 16-Hydroxy-equilenin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Hydroxy-equilenin has 2 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 16-Hydroxy-equilenin?
The CAS number of 16-Hydroxy-equilenin is 131944-03-1.
What is the molecular formula of 16-Hydroxy-equilenin?
The molecular formula of 16-Hydroxy-equilenin is C18H18O3.
What is the molecular weight of 16-Hydroxy-equilenin?
The molecular weight of 16-Hydroxy-equilenin is 282.12558 g/mol.
Where can I buy 16-Hydroxy-equilenin?
You can request a quote for 16-Hydroxy-equilenin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 16-Hydroxy-equilenin?
Yes, CoreyChem provides custom synthesis services for 16-Hydroxy-equilenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.