Acetylmarinobufagin
TL;DR: Acetylmarinobufagin (CAS 4029-68-9) 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.
[(2S,4R,6R,7R,11R,14S,16S)-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: Acetylmarinobufagin, Acetylmarinobufogenin, Marinobufagin, 3-acetyl-, O3'-Acetyl-O5'-trityl-thymidin, 3-beta,5-Dihydroxy-14,15-beta-epoxy-5-beta-bufa-20,22-dienolide 3-acetate
| 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 | 4029-68-9 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](C[C@@H]5[C@@]4(C3CC[C@@]2(C1)O)O5)C6=COC(=O)C=C6)C)C |
| InChIKey | SMEFDRPJDZWFRJ-BEUCWVFZSA-N |
Product Overview
Acetylmarinobufagin (CAS 4029-68-9), with molecular formula C26H34O6 and molecular weight 442.24 g/mol. IUPAC: [(2S,4R,6R,7R,11R,14S,16S)-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 Acetylmarinobufagin
Property Insights of Acetylmarinobufagin
The XLogP value of 3.1 indicates that Acetylmarinobufagin 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 Acetylmarinobufagin. Following Lipinski's Rule of Five, Acetylmarinobufagin 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 Acetylmarinobufagin?
The CAS number of Acetylmarinobufagin is 4029-68-9.
What is the molecular formula of Acetylmarinobufagin?
The molecular formula of Acetylmarinobufagin is C26H34O6.
What is the molecular weight of Acetylmarinobufagin?
The molecular weight of Acetylmarinobufagin is 442.24 g/mol.
Where can I buy Acetylmarinobufagin?
You can request a quote for Acetylmarinobufagin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylmarinobufagin?
Yes, KEHONG BIO provides custom synthesis services for Acetylmarinobufagin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.