Acetylmarinobufogenin
TL;DR: Acetylmarinobufogenin (CAS 40527-93-3) is a chemical compound with molecular formula C26H34O6 and molecular weight 442.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[16-hydroxy-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: Acetylmarinobufogenin, Acetylmarinobufagin, Marinobufagin, 3-acetyl-, NCI60_000796, 3-(acetyloxy)-5-hydroxy-14,15-epoxybufa-20,22-dienolide
| Molecular Formula | C26H34O6 |
|---|---|
| Molecular Weight | 442.24 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.23553 |
| Heavy Atoms | 32 |
| Complexity | 939.0 |
Chemical Identifiers
| CAS Number | 40527-93-3 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C3CCC4(C(CC5C4(C3CCC2(C1)O)O5)C6=COC(=O)C=C6)C)C |
| InChIKey | SMEFDRPJDZWFRJ-UHFFFAOYSA-N |
Product Overview
Acetylmarinobufogenin (CAS 40527-93-3), with molecular formula C26H34O6 and molecular weight 442.24 g/mol. IUPAC: [16-hydroxy-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 Acetylmarinobufogenin
Property Insights of Acetylmarinobufogenin
The XLogP value of 3.1 indicates that Acetylmarinobufogenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylmarinobufogenin. Following Lipinski's Rule of Five, Acetylmarinobufogenin 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 Acetylmarinobufogenin?
The CAS number of Acetylmarinobufogenin is 40527-93-3.
What is the molecular formula of Acetylmarinobufogenin?
The molecular formula of Acetylmarinobufogenin is C26H34O6.
What is the molecular weight of Acetylmarinobufogenin?
The molecular weight of Acetylmarinobufogenin is 442.24 g/mol.
Where can I buy Acetylmarinobufogenin?
You can request a quote for Acetylmarinobufogenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylmarinobufogenin?
Yes, KEHONG BIO provides custom synthesis services for Acetylmarinobufogenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.