5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide
TL;DR: 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide (CAS 39006-75-2) is a chemical compound with molecular formula C26H36O7 and molecular weight 460.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate
Also Known As: Strophanthidin propionate, Strophanthidin-3-propionate, 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide, (3-beta,5-beta)-5,14-Dihydroxy-19-oxo-3-(1-oxopropoxy)card-20(22)-enolide, (8xi,9xi)-5,14-Dihydroxy-19-oxo-3beta-(propanoyloxy)-5beta-card-20(22)-enolide
| Molecular Formula | C26H36O7 |
|---|---|
| Molecular Weight | 460.25 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.2461 |
| Heavy Atoms | 33 |
| Complexity | 897.0 |
Chemical Identifiers
| CAS Number | 39006-75-2 |
|---|---|
| SMILES | CCC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CC[C@@]4(C3CC[C@@]2(C1)O)O)C5=CC(=O)OC5)C)C=O |
| InChIKey | ZSSOYNQTXFXTDP-YEQYUSRPSA-N |
Product Overview
5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide (CAS 39006-75-2), with molecular formula C26H36O7 and molecular weight 460.25 g/mol. IUPAC: [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate.
Chemical Property Profile of 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide
Property Insights of 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide. Following Lipinski's Rule of Five, 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide has 2 hydrogen bond donor(s) and 7 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 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide?
The CAS number of 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide is 39006-75-2.
What is the molecular formula of 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide?
The molecular formula of 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide is C26H36O7.
What is the molecular weight of 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide?
The molecular weight of 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide is 460.25 g/mol.
Where can I buy 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide?
You can request a quote for 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.