4-Hydroxy-equilin
TL;DR: 4-Hydroxy-equilin (CAS 81608-62-0) is a chemical compound with molecular formula C18H20O3 and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9S,13S,14S)-3,4-dihydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 4-Hydroxyequilin, 4-Hydroxy-equilin, Estra-1,3,5(10),7-tetraen-17-one, 3,4-dihydroxy-, 3,4-dihydroxyestra-1,3,5(10),7-tetraen-17-one, 3,4-Dihydroxyestra-1,3,5(10),7-tetrene-17-one
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 81608-62-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4O)O)[C@@H]1CCC2=O |
| InChIKey | LCKBCCZEGNYLDE-VZSAFFHGSA-N |
Product Overview
4-Hydroxy-equilin (CAS 81608-62-0), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: (9S,13S,14S)-3,4-dihydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 4-Hydroxy-equilin
Property Insights of 4-Hydroxy-equilin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-equilin. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Hydroxy-equilin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-equilin 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
Frequently Asked Questions
What is the CAS number of 4-Hydroxy-equilin?
The CAS number of 4-Hydroxy-equilin is 81608-62-0.
What is the molecular formula of 4-Hydroxy-equilin?
The molecular formula of 4-Hydroxy-equilin is C18H20O3.
What is the molecular weight of 4-Hydroxy-equilin?
The molecular weight of 4-Hydroxy-equilin is 284.14 g/mol.
Where can I buy 4-Hydroxy-equilin?
You can request a quote for 4-Hydroxy-equilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-equilin?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-equilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.