Bufalone
TL;DR: Bufalone (CAS 4029-65-6) is a chemical compound with molecular formula C24H32O4 and molecular weight 384.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Bufalone, Bufalon, 3-keto-bufalin, Acetylmarinobufagin, 3-Oxo-bufalin
| Molecular Formula | C24H32O4 |
|---|---|
| Molecular Weight | 384.23 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.23007 |
| Heavy Atoms | 28 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 4029-65-6 |
|---|---|
| SMILES | C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C |
| InChIKey | YHPFWEDUGHFFTA-PNERCMSUSA-N |
Product Overview
Bufalone (CAS 4029-65-6), with molecular formula C24H32O4 and molecular weight 384.23 g/mol. IUPAC: 5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of Bufalone
Property Insights of Bufalone
The XLogP value of 3.3 indicates that Bufalone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bufalone. Following Lipinski's Rule of Five, Bufalone has 1 hydrogen bond donor(s) and 4 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 Bufalone?
The CAS number of Bufalone is 4029-65-6.
What is the molecular formula of Bufalone?
The molecular formula of Bufalone is C24H32O4.
What is the molecular weight of Bufalone?
The molecular weight of Bufalone is 384.23 g/mol.
Where can I buy Bufalone?
You can request a quote for Bufalone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bufalone?
Yes, KEHONG BIO provides custom synthesis services for Bufalone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.