Ethinyl estriol
TL;DR: Ethinyl estriol (CAS 108646-70-4) is a chemical compound with molecular formula C20H24O3 and molecular weight 312.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol
Also Known As: Ethinyl estriol, 19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol, (17xi)-19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol, (8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol
| Molecular Formula | C20H24O3 |
|---|---|
| Molecular Weight | 312.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.17255 |
| Heavy Atoms | 23 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 108646-70-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CC(C4=C3C=CC(=C4)O)O |
| InChIKey | XFBUZQAUNLRYCT-RZMBZTBZSA-N |
Product Overview
Ethinyl estriol (CAS 108646-70-4), with molecular formula C20H24O3 and molecular weight 312.17 g/mol. IUPAC: (8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol.
Chemical Property Profile of Ethinyl estriol
Property Insights of Ethinyl estriol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethinyl estriol. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethinyl estriol. Following Lipinski's Rule of Five, Ethinyl estriol has 3 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 Ethinyl estriol?
The CAS number of Ethinyl estriol is 108646-70-4.
What is the molecular formula of Ethinyl estriol?
The molecular formula of Ethinyl estriol is C20H24O3.
What is the molecular weight of Ethinyl estriol?
The molecular weight of Ethinyl estriol is 312.17 g/mol.
Where can I buy Ethinyl estriol?
You can request a quote for Ethinyl estriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethinyl estriol?
Yes, KEHONG BIO provides custom synthesis services for Ethinyl estriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.