异炔诺酮
TL;DR: 异炔诺酮 (CAS 68-23-5) is a chemical compound with molecular formula C20H26O2 and molecular weight 298.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异炔诺酮
(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: norethynodrel, Noretynodrel, Enidrel, Norethinodrel, Lynestrol
| Molecular Formula | C20H26O2 |
|---|---|
| Molecular Weight | 298.19 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.19327 |
| Heavy Atoms | 22 |
| Complexity | 606.0 |
| Melting Point | 170 °C |
| Solubility | Very slightly soluble in water; freely soluble in chloroform; soluble in acetone; sparingly soluble in ethanol. |
Chemical Identifiers
| CAS Number | 68-23-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4 |
| InChIKey | ICTXHFFSOAJUMG-SLHNCBLASA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异炔诺酮 (CAS 68-23-5), with molecular formula C20H26O2 and molecular weight 298.19 g/mol. IUPAC: (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 异炔诺酮
Property Insights of 异炔诺酮
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异炔诺酮. With a topological polar surface area (TPSA) of 37.3 Ų, 异炔诺酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异炔诺酮 has 1 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 异炔诺酮?
The CAS number of 异炔诺酮 is 68-23-5.
What is the molecular formula of 异炔诺酮?
The molecular formula of 异炔诺酮 is C20H26O2.
What is the molecular weight of 异炔诺酮?
The molecular weight of 异炔诺酮 is 298.19 g/mol.
Where can I buy 异炔诺酮?
You can request a quote for 异炔诺酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异炔诺酮?
Yes, KEHONG BIO provides custom synthesis services for 异炔诺酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.