Ethynodiol
TL;DR: Ethynodiol (CAS 1231-93-2) is a chemical compound with molecular formula C20H28O2 and molecular weight 300.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: ethynodiol, Etynodiol, Ethinodiol, Aethynodiolum, Etynodiolum
| Molecular Formula | C20H28O2 |
|---|---|
| Molecular Weight | 300.21 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.20892 |
| Heavy Atoms | 22 |
| Complexity | 555.0 |
| Melting Point | Crystals from methanol + water. MW: 384.51. MP: approximately 126-127 °C. Spcific optical rotation: =72.5 deg at 25 °C/D (chlorform) /Ethyndiol diacetate/ |
| Solubility | Solubility in double-distilled water, 0.26 mg/L /Ethynodiol diacetate/ |
Chemical Identifiers
| CAS Number | 1231-93-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C[C@H](CC[C@H]34)O |
| InChIKey | JYILPERKVHXLNF-QMNUTNMBSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethynodiol (CAS 1231-93-2), with molecular formula C20H28O2 and molecular weight 300.21 g/mol. IUPAC: (3S,8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Ethynodiol
Property Insights of Ethynodiol
The XLogP value of 3.1 indicates that Ethynodiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Ethynodiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethynodiol 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 Ethynodiol?
The CAS number of Ethynodiol is 1231-93-2.
What is the molecular formula of Ethynodiol?
The molecular formula of Ethynodiol is C20H28O2.
What is the molecular weight of Ethynodiol?
The molecular weight of Ethynodiol is 300.21 g/mol.
Where can I buy Ethynodiol?
You can request a quote for Ethynodiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethynodiol?
Yes, KEHONG BIO provides custom synthesis services for Ethynodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.