Digitoxigenin hemisuccinate
TL;DR: Digitoxigenin hemisuccinate (CAS 2287-95-8) is a chemical compound with molecular formula C27H38O7 and molecular weight 474.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
Also Known As: Digitoxigenin hemisuccinate, AY-17,611, 3-[(3-Carboxypropanoyl)oxy]-14-hydroxycard-20(22)-enolide, 4-[[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid, Card-20(22)-enolide, 3-(3-carboxy-1-oxopropoxy)-14-hydroxy-, (3beta,5beta)-
| Molecular Formula | C27H38O7 |
|---|---|
| Molecular Weight | 474.26 g/mol |
| LogP | 4.02 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.26175 |
| Heavy Atoms | 34 |
| Complexity | 910.65466 |
Chemical Identifiers
| CAS Number | 2287-95-8 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC(=O)CCC(=O)O |
Product Overview
Digitoxigenin hemisuccinate (CAS 2287-95-8), with molecular formula C27H38O7 and molecular weight 474.26 g/mol. IUPAC: 4-[[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of Digitoxigenin hemisuccinate
Property Insights of Digitoxigenin hemisuccinate
The XLogP value of 4.02 indicates that Digitoxigenin hemisuccinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Digitoxigenin hemisuccinate. Following Lipinski's Rule of Five, Digitoxigenin hemisuccinate has 2 hydrogen bond donor(s) and 6 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 Digitoxigenin hemisuccinate?
The CAS number of Digitoxigenin hemisuccinate is 2287-95-8.
What is the molecular formula of Digitoxigenin hemisuccinate?
The molecular formula of Digitoxigenin hemisuccinate is C27H38O7.
What is the molecular weight of Digitoxigenin hemisuccinate?
The molecular weight of Digitoxigenin hemisuccinate is 474.26 g/mol.
Where can I buy Digitoxigenin hemisuccinate?
You can request a quote for Digitoxigenin hemisuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digitoxigenin hemisuccinate?
Yes, KEHONG BIO provides custom synthesis services for Digitoxigenin hemisuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.