Gestafortin
TL;DR: Gestafortin (CAS 3114-44-1) is a chemical compound with molecular formula C23H31ClO4 and molecular weight 406.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9R,10R,13S,14R,17S)-17-acetyl-6-chloro-3-hydroxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Gestafortin, [(3S,8R,9R,10R,13S,14R,17S)-17-acetyl-6-chloro-3-hydroxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
| Molecular Formula | C23H31ClO4 |
|---|---|
| Molecular Weight | 406.19 g/mol |
| LogP | 4.5435 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.1911 |
| Heavy Atoms | 28 |
| Complexity | 785.4718 |
Chemical Identifiers
| CAS Number | 3114-44-1 |
|---|---|
| SMILES | CC(=O)[C@@]1(CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2C=C(C4=C[C@H](CC[C@]34C)O)Cl)C)OC(=O)C |
Product Overview
Gestafortin (CAS 3114-44-1), with molecular formula C23H31ClO4 and molecular weight 406.19 g/mol. IUPAC: [(3S,8R,9R,10R,13S,14R,17S)-17-acetyl-6-chloro-3-hydroxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of Gestafortin
Property Insights of Gestafortin
The XLogP value of 4.5435 indicates that Gestafortin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Gestafortin. Following Lipinski's Rule of Five, Gestafortin has 1 hydrogen bond donor(s) and 4 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 Gestafortin?
The CAS number of Gestafortin is 3114-44-1.
What is the molecular formula of Gestafortin?
The molecular formula of Gestafortin is C23H31ClO4.
What is the molecular weight of Gestafortin?
The molecular weight of Gestafortin is 406.19 g/mol.
Where can I buy Gestafortin?
You can request a quote for Gestafortin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gestafortin?
Yes, KEHONG BIO provides custom synthesis services for Gestafortin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.