3-Acetylstrophanthin
TL;DR: 3-Acetylstrophanthin (CAS 28146-52-3) is a chemical compound with molecular formula C25H34O8 and molecular weight 462.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-17-(3-hydroxy-2-oxo-3H-furan-4-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 3-Acetylstrophanthin, 3-(Acetyloxy)-5,14,22-trihydroxy-19-oxocard-20-enolide, [(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-17-(3-hydroxy-2-oxo-3H-furan-4-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate, Card-20-enolide, 3-(acetyloxy)-5,14,22-trihydroxy-19-oxo-, (3beta,5beta)-, 3beta-(Acetyloxy)-5,14,22-trihydroxy-19-oxo-5beta-card-20-enolide
| Molecular Formula | C25H34O8 |
|---|---|
| Molecular Weight | 462.23 g/mol |
| LogP | 1.7874 |
| Topological Polar Surface Area | 130.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.22537 |
| Heavy Atoms | 33 |
| Complexity | 914.083 |
Chemical Identifiers
| CAS Number | 28146-52-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3CC[C@@]2(C1)O)O)C5=COC(=O)C5O)C)C=O |
Product Overview
3-Acetylstrophanthin (CAS 28146-52-3), with molecular formula C25H34O8 and molecular weight 462.23 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-17-(3-hydroxy-2-oxo-3H-furan-4-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 3-Acetylstrophanthin
Property Insights of 3-Acetylstrophanthin
The XLogP value of 1.7874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetylstrophanthin. The TPSA of 130.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetylstrophanthin. Following Lipinski's Rule of Five, 3-Acetylstrophanthin has 3 hydrogen bond donor(s) and 8 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-Acetylstrophanthin?
The CAS number of 3-Acetylstrophanthin is 28146-52-3.
What is the molecular formula of 3-Acetylstrophanthin?
The molecular formula of 3-Acetylstrophanthin is C25H34O8.
What is the molecular weight of 3-Acetylstrophanthin?
The molecular weight of 3-Acetylstrophanthin is 462.23 g/mol.
Where can I buy 3-Acetylstrophanthin?
You can request a quote for 3-Acetylstrophanthin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetylstrophanthin?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetylstrophanthin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.