5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)card-20(22)-enolide
TL;DR: 5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)card-20(22)-enolide (CAS 63979-72-6) is a chemical compound with molecular formula C28H40O7 and molecular weight 488.2774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(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] pentanoate
Also Known As: n-Valeryl-k-strophanthidin, k-Strophanthidin, n-valeryl-, 4-18-00-03131 (Beilstein Handbook Reference), 5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)card-20(22)-enolide, 5-beta-Card-20(22)-enolide, 5,14-dihydroxy-19-oxo-3-beta-((1-oxopentyl)oxy)-, (3-beta,5-beta)-
Technical Specifications
| Molecular Formula | C28H40O7 |
| Molecular Weight | 488.2774 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.2774 Da |
| Heavy Atoms | 35 |
| Complexity | 928.0 |
| SMILES | CCCCC(=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 | XQSVLBBUYOVHDA-PNQBCYOKSA-N |
Chemical Property Profile of 5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)card-20(22)-enolide
Property Insights of 5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)card-20(22)-enolide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)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-(pentanoyloxy)card-20(22)-enolide. Following Lipinski's Rule of Five, 5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)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
What is the CAS number of 5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)card-20(22)-enolide?
The CAS number of 5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)card-20(22)-enolide is 63979-72-6.
What is the molecular formula of 5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)card-20(22)-enolide?
The molecular formula of 5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)card-20(22)-enolide is C28H40O7.
What is the molecular weight of 5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)card-20(22)-enolide?
The molecular weight of 5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)card-20(22)-enolide is 488.2774 g/mol.
Where can I buy 5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)card-20(22)-enolide?
You can request a quote for 5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)card-20(22)-enolide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)card-20(22)-enolide?
Yes, CoreyChem provides custom synthesis services for 5,14-Dihydroxy-19-oxo-3-(pentanoyloxy)card-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.