3-Epioleandrigenin
TL;DR: 3-Epioleandrigenin (CAS 508-20-3) is a chemical compound with molecular formula C25H36O6 and molecular weight 432.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,5R,10S,13R,14S,16S,17R)-3,14-dihydroxy-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-16-yl] acetate
Also Known As: 3-Epioleandrigenin, Oleandrigenin, 5-beta-CARD-20(22)-ENOLIDE, 3-alpha,14,16-beta-TRIHYDROXY-, 16-ACETATE, Card-20(22)-enolide, 16-(acetyloxy)-3,14-dihydroxy-, (3-alpha,5-beta,16-beta)-, [(3R,5R,10S,13R,14S,16S,17R)-3,14-dihydroxy-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-16-yl] acetate
| Molecular Formula | C25H36O6 |
|---|---|
| Molecular Weight | 432.25 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.2512 |
| Heavy Atoms | 31 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 508-20-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@]2(C3CC[C@@H]4C[C@@H](CC[C@@]4(C3CC[C@@]2([C@H]1C5=CC(=O)OC5)C)C)O)O |
| InChIKey | IWCNCUVTGOMGKG-YBHZWUQGSA-N |
Product Overview
3-Epioleandrigenin (CAS 508-20-3), with molecular formula C25H36O6 and molecular weight 432.25 g/mol. IUPAC: [(3R,5R,10S,13R,14S,16S,17R)-3,14-dihydroxy-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-16-yl] acetate.
Chemical Property Profile of 3-Epioleandrigenin
Property Insights of 3-Epioleandrigenin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Epioleandrigenin. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Epioleandrigenin. Following Lipinski's Rule of Five, 3-Epioleandrigenin 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 3-Epioleandrigenin?
The CAS number of 3-Epioleandrigenin is 508-20-3.
What is the molecular formula of 3-Epioleandrigenin?
The molecular formula of 3-Epioleandrigenin is C25H36O6.
What is the molecular weight of 3-Epioleandrigenin?
The molecular weight of 3-Epioleandrigenin is 432.25 g/mol.
Where can I buy 3-Epioleandrigenin?
You can request a quote for 3-Epioleandrigenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Epioleandrigenin?
Yes, KEHONG BIO provides custom synthesis services for 3-Epioleandrigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.