Acetylresibufogenin
TL;DR: Acetylresibufogenin (CAS 4029-64-5) is a chemical compound with molecular formula C26H34O5 and molecular weight 426.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4R,6R,7R,11S,14S,16R)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate
Also Known As: Acetylresibufogenin, Resibufogenin acetate, Resibufogenin acetate (6CI), 5-beta-BUFA-20,22-DIENOLIDE, 14,15-beta-EPOXY-3-beta-HYDROXY-, ACETATE, Bufa-20,22-dienolide, 3-(acetyloxy)-14,15-epoxy-, (3-beta,5-beta,15-beta)-
| Molecular Formula | C26H34O5 |
|---|---|
| Molecular Weight | 426.24 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.24063 |
| Heavy Atoms | 31 |
| Complexity | 890.0 |
Chemical Identifiers
| CAS Number | 4029-64-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CCC3C2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)C |
| InChIKey | PYQLJWZNYPKLBI-BUOBTXRUSA-N |
Product Overview
Acetylresibufogenin (CAS 4029-64-5), with molecular formula C26H34O5 and molecular weight 426.24 g/mol. IUPAC: [(2S,4R,6R,7R,11S,14S,16R)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate.
Chemical Property Profile of Acetylresibufogenin
Property Insights of Acetylresibufogenin
The XLogP value of 4.3 indicates that Acetylresibufogenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylresibufogenin. Following Lipinski's Rule of Five, Acetylresibufogenin has 0 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 Acetylresibufogenin?
The CAS number of Acetylresibufogenin is 4029-64-5.
What is the molecular formula of Acetylresibufogenin?
The molecular formula of Acetylresibufogenin is C26H34O5.
What is the molecular weight of Acetylresibufogenin?
The molecular weight of Acetylresibufogenin is 426.24 g/mol.
Where can I buy Acetylresibufogenin?
You can request a quote for Acetylresibufogenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylresibufogenin?
Yes, KEHONG BIO provides custom synthesis services for Acetylresibufogenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.