4-Hydroxyequilenin
TL;DR: 4-Hydroxyequilenin (CAS 86273-79-2) is a chemical compound with molecular formula C18H18O3 and molecular weight 282.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13S,14S)-3,4-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
Also Known As: 4-Hydroxyequilenin, 4-hydroxy-equilenin, 3,4-dihydroxyestra-1,3,5(10),6,8-pentaen-17-one, SID:53787666, 3,4-Dihydroxyestra-1,3,5,7,9-penten-17-one
| Molecular Formula | C18H18O3 |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.12558 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 86273-79-2 |
|---|---|
| SMILES | C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4O)O |
| InChIKey | MRSWRSDZIPNFCN-KSSFIOAISA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxyequilenin (CAS 86273-79-2), with molecular formula C18H18O3 and molecular weight 282.13 g/mol. IUPAC: (13S,14S)-3,4-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 4-Hydroxyequilenin
Property Insights of 4-Hydroxyequilenin
The XLogP value of 3.1 indicates that 4-Hydroxyequilenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Hydroxyequilenin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxyequilenin 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-Hydroxyequilenin?
The CAS number of 4-Hydroxyequilenin is 86273-79-2.
What is the molecular formula of 4-Hydroxyequilenin?
The molecular formula of 4-Hydroxyequilenin is C18H18O3.
What is the molecular weight of 4-Hydroxyequilenin?
The molecular weight of 4-Hydroxyequilenin is 282.13 g/mol.
Where can I buy 4-Hydroxyequilenin?
You can request a quote for 4-Hydroxyequilenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxyequilenin?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxyequilenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.