Marinobufagenin
TL;DR: Marinobufagenin (CAS 470-42-8) is a chemical compound with molecular formula C24H32O5 and molecular weight 400.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2S,4R,6R,7R,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
Also Known As: Marinobufagenin, Marinobufagin, Marinobufogenin, MARCINOBUFAGIN, 3-beta,5-Dihydroxy-14,15-beta-epoxy-5-beta-bufa-20,22-dienolide
| Molecular Formula | C24H32O5 |
|---|---|
| Molecular Weight | 400.22 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 400.22498 |
| Heavy Atoms | 29 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 470-42-8 |
|---|---|
| SMILES | C[C@]12CCC3C([C@@]14[C@H](O4)C[C@@H]2C5=COC(=O)C=C5)CC[C@]6([C@@]3(CC[C@@H](C6)O)C)O |
| InChIKey | JMNQTHQLNRILMH-VIIGBXEJSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Marinobufagenin (CAS 470-42-8), with molecular formula C24H32O5 and molecular weight 400.22 g/mol. IUPAC: 5-[(2S,4R,6R,7R,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one.
Chemical Property Profile of Marinobufagenin
Property Insights of Marinobufagenin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Marinobufagenin. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Marinobufagenin. Following Lipinski's Rule of Five, Marinobufagenin has 2 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 Marinobufagenin?
The CAS number of Marinobufagenin is 470-42-8.
What is the molecular formula of Marinobufagenin?
The molecular formula of Marinobufagenin is C24H32O5.
What is the molecular weight of Marinobufagenin?
The molecular weight of Marinobufagenin is 400.22 g/mol.
Where can I buy Marinobufagenin?
You can request a quote for Marinobufagenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Marinobufagenin?
Yes, KEHONG BIO provides custom synthesis services for Marinobufagenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.