Dihydroequilin
TL;DR: Dihydroequilin (CAS 3563-27-7) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: Dihydroequilin, .alpha.-Hydroequiline, 17 .alpha.-Dihydroequilin, Estra-1,3,5(10),7-tetraene-3,17alpha-diol, Estra-1(10),2,4,7-tetraene-3,17-diol #
| Molecular Formula | C18H22O2 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.162 |
| Heavy Atoms | 20 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 3563-27-7 |
|---|---|
| SMILES | CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2O |
| InChIKey | NLLMJANWPUQQTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihydroequilin (CAS 3563-27-7), with molecular formula C18H22O2 and molecular weight 270.16 g/mol. IUPAC: 13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Dihydroequilin
Property Insights of Dihydroequilin
The XLogP value of 3.2 indicates that Dihydroequilin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Dihydroequilin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydroequilin has 2 hydrogen bond donor(s) and 2 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 Dihydroequilin?
The CAS number of Dihydroequilin is 3563-27-7.
What is the molecular formula of Dihydroequilin?
The molecular formula of Dihydroequilin is C18H22O2.
What is the molecular weight of Dihydroequilin?
The molecular weight of Dihydroequilin is 270.16 g/mol.
Where can I buy Dihydroequilin?
You can request a quote for Dihydroequilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydroequilin?
Yes, KEHONG BIO provides custom synthesis services for Dihydroequilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.