3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide
TL;DR: 3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide (CAS 2842-86-6) is a chemical compound with molecular formula C25H34O6 and molecular weight 430.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 3-Acetyl-12-dehydrodigoxigenin, 4-18-00-02546 (Beilstein Handbook Reference), 3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide, 3-beta,14-Dihydroxy-12-oxo-5-beta-card-20(22)-enolide 3-acetate, 5-beta-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-12-OXO-, 3-ACETATE
| Molecular Formula | C25H34O6 |
|---|---|
| Molecular Weight | 430.24 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.23553 |
| Heavy Atoms | 31 |
| Complexity | 862.0 |
Chemical Identifiers
| CAS Number | 2842-86-6 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CCC3C2CC(=O)[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)C |
| InChIKey | SZLQWLYPPPPWKF-GEVRZZSESA-N |
Product Overview
3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide (CAS 2842-86-6), with molecular formula C25H34O6 and molecular weight 430.24 g/mol. IUPAC: [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide
Property Insights of 3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide. Following Lipinski's Rule of Five, 3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide has 1 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-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide?
The CAS number of 3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide is 2842-86-6.
What is the molecular formula of 3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide?
The molecular formula of 3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide is C25H34O6.
What is the molecular weight of 3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide?
The molecular weight of 3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide is 430.24 g/mol.
Where can I buy 3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide?
You can request a quote for 3-(Acetyloxy)-14-hydroxy-12-oxocard-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 3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.