bufalin
TL;DR: bufalin (CAS 496-83-3) is a chemical compound with molecular formula C24H34O4 and molecular weight 386.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3R,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: bufalin, 3-Epibufalin, 3-epi-Bufalin, bufalin, (3alpha,5beta)-isomer, KST-1A5047
| Molecular Formula | C24H34O4 |
|---|---|
| Molecular Weight | 386.25 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 386.2457 |
| Heavy Atoms | 28 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 496-83-3 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O |
| InChIKey | QEEBRPGZBVVINN-FZTHYMMHSA-N |
Product Overview
bufalin (CAS 496-83-3), with molecular formula C24H34O4 and molecular weight 386.25 g/mol. IUPAC: 5-[(3R,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of bufalin
Property Insights of bufalin
The XLogP value of 3.2 indicates that bufalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for bufalin. Following Lipinski's Rule of Five, bufalin has 2 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 bufalin?
The CAS number of bufalin is 496-83-3.
What is the molecular formula of bufalin?
The molecular formula of bufalin is C24H34O4.
What is the molecular weight of bufalin?
The molecular weight of bufalin is 386.25 g/mol.
Where can I buy bufalin?
You can request a quote for bufalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bufalin?
Yes, KEHONG BIO provides custom synthesis services for bufalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.