Estra-1,3,5,7,9-pentaene-3,17beta-diol
TL;DR: Estra-1,3,5,7,9-pentaene-3,17beta-diol (CAS 1423-97-8) is a chemical compound with molecular formula C18H20O2 and molecular weight 268.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: .beta.-Dihydroequilenin, alpha-Dihydroequilenin, 17alpha-Dihydroequilenin, 17.beta.-dihydroequilenin, alfa-Dihydroequilenina [Spanish]
| Molecular Formula | C18H20O2 |
|---|---|
| Molecular Weight | 268.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.14633 |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 1423-97-8 |
|---|---|
| SMILES | CC12CCC3=C(C1CCC2O)C=CC4=C3C=CC(=C4)O |
| InChIKey | RYWZPRVUQHMJFF-UHFFFAOYSA-N |
Product Overview
Estra-1,3,5,7,9-pentaene-3,17beta-diol (CAS 1423-97-8), with molecular formula C18H20O2 and molecular weight 268.15 g/mol. IUPAC: 13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Estra-1,3,5,7,9-pentaene-3,17beta-diol
Property Insights of Estra-1,3,5,7,9-pentaene-3,17beta-diol
The XLogP value of 3.8 indicates that Estra-1,3,5,7,9-pentaene-3,17beta-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Estra-1,3,5,7,9-pentaene-3,17beta-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-1,3,5,7,9-pentaene-3,17beta-diol 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 Estra-1,3,5,7,9-pentaene-3,17beta-diol?
The CAS number of Estra-1,3,5,7,9-pentaene-3,17beta-diol is 1423-97-8.
What is the molecular formula of Estra-1,3,5,7,9-pentaene-3,17beta-diol?
The molecular formula of Estra-1,3,5,7,9-pentaene-3,17beta-diol is C18H20O2.
What is the molecular weight of Estra-1,3,5,7,9-pentaene-3,17beta-diol?
The molecular weight of Estra-1,3,5,7,9-pentaene-3,17beta-diol is 268.15 g/mol.
Where can I buy Estra-1,3,5,7,9-pentaene-3,17beta-diol?
You can request a quote for Estra-1,3,5,7,9-pentaene-3,17beta-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estra-1,3,5,7,9-pentaene-3,17beta-diol?
Yes, KEHONG BIO provides custom synthesis services for Estra-1,3,5,7,9-pentaene-3,17beta-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.