Gestrinone
TL;DR: Gestrinone (CAS 40542-65-2) is a chemical compound with molecular formula C21H24O2 and molecular weight 308.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: Gestrinone, 13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one, 13-ETHYL-17ALPHA-ETHYNYL-17BETA-HYDROXY-4,9,11-GONATRIENE-3-ONE, 18,19-Dinorpregna-4,9,11-trien-20-yn-3-one,13-ethyl-17-hydroxy-,(17-alpha)-(9ci), 13-ethyl-17-ethynyl-17-oxidanyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H24O2 |
|---|---|
| Molecular Weight | 308.18 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.17764 |
| Heavy Atoms | 23 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 40542-65-2 |
|---|---|
| SMILES | CCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(C#C)O |
| InChIKey | BJJXHLWLUDYTGC-UHFFFAOYSA-N |
Product Overview
Gestrinone (CAS 40542-65-2), with molecular formula C21H24O2 and molecular weight 308.18 g/mol. IUPAC: 13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Gestrinone
Property Insights of Gestrinone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gestrinone. With a topological polar surface area (TPSA) of 37.3 Ų, Gestrinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Gestrinone 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 Gestrinone?
The CAS number of Gestrinone is 40542-65-2.
What is the molecular formula of Gestrinone?
The molecular formula of Gestrinone is C21H24O2.
What is the molecular weight of Gestrinone?
The molecular weight of Gestrinone is 308.18 g/mol.
Where can I buy Gestrinone?
You can request a quote for Gestrinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gestrinone?
Yes, KEHONG BIO provides custom synthesis services for Gestrinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.