6-alpha-Methyldigitoxigenin 3-acetate
TL;DR: 6-alpha-Methyldigitoxigenin 3-acetate (CAS 56931-93-2) is a chemical compound with molecular formula C26H38O5 and molecular weight 430.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,6S,8R,9S,10S,13R,17R)-14-hydroxy-6,10,13-trimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 6-alpha-Methyldigitoxigenin 3-acetate, Card-20(22)-enolide, 3-(acetyloxy)-14-hydroxy-6-methyl-, (3-beta,5-beta,6-alpha)-, 3-(Acetyloxy)-14-hydroxy-6-methylcard-20(22)-enolide, (3-beta,5-beta,6-alpha)-3-(Acetyloxy)-14-hydroxy-6-methylcard-20(22)-enolide, (14xi)-3beta-(Acetyloxy)-14-hydroxy-6alpha-methyl-5beta-card-20(22)-enolide
| Molecular Formula | C26H38O5 |
|---|---|
| Molecular Weight | 430.27 g/mol |
| LogP | 4.4211 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 430.2719 |
| Heavy Atoms | 31 |
| Complexity | 818.615 |
Chemical Identifiers
| CAS Number | 56931-93-2 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H](CC[C@]3(C2(CC[C@@H]3C4=CC(=O)OC4)O)C)[C@@]5([C@H]1C[C@H](CC5)OC(=O)C)C |
Product Overview
6-alpha-Methyldigitoxigenin 3-acetate (CAS 56931-93-2), with molecular formula C26H38O5 and molecular weight 430.27 g/mol. IUPAC: [(3S,5S,6S,8R,9S,10S,13R,17R)-14-hydroxy-6,10,13-trimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 6-alpha-Methyldigitoxigenin 3-acetate
Property Insights of 6-alpha-Methyldigitoxigenin 3-acetate
The XLogP value of 4.4211 indicates that 6-alpha-Methyldigitoxigenin 3-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-alpha-Methyldigitoxigenin 3-acetate. Following Lipinski's Rule of Five, 6-alpha-Methyldigitoxigenin 3-acetate has 1 hydrogen bond donor(s) and 5 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 6-alpha-Methyldigitoxigenin 3-acetate?
The CAS number of 6-alpha-Methyldigitoxigenin 3-acetate is 56931-93-2.
What is the molecular formula of 6-alpha-Methyldigitoxigenin 3-acetate?
The molecular formula of 6-alpha-Methyldigitoxigenin 3-acetate is C26H38O5.
What is the molecular weight of 6-alpha-Methyldigitoxigenin 3-acetate?
The molecular weight of 6-alpha-Methyldigitoxigenin 3-acetate is 430.27 g/mol.
Where can I buy 6-alpha-Methyldigitoxigenin 3-acetate?
You can request a quote for 6-alpha-Methyldigitoxigenin 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-alpha-Methyldigitoxigenin 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for 6-alpha-Methyldigitoxigenin 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.