Bufogein
TL;DR: Bufogein (CAS 465-39-4) 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-[(2S,4R,6R,7R,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
Also Known As: Resibufogenin, Bufogenin, Respigon, Bufogenina, Bufogenine
| Molecular Formula | C24H32O4 |
|---|---|
| Molecular Weight | 384.23 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.23007 |
| Heavy Atoms | 28 |
| Complexity | 785.0 |
Chemical Identifiers
| CAS Number | 465-39-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O |
| InChIKey | ATLJNLYIJOCWJE-NEKURZDCSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bufogein (CAS 465-39-4), with molecular formula C24H32O4 and molecular weight 384.23 g/mol. IUPAC: 5-[(2S,4R,6R,7R,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one.
Chemical Property Profile of Bufogein
Property Insights of Bufogein
The XLogP value of 3.7 indicates that Bufogein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, Bufogein exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bufogein 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 Bufogein?
The CAS number of Bufogein is 465-39-4.
What is the molecular formula of Bufogein?
The molecular formula of Bufogein is C24H32O4.
What is the molecular weight of Bufogein?
The molecular weight of Bufogein is 384.23 g/mol.
Where can I buy Bufogein?
You can request a quote for Bufogein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bufogein?
Yes, KEHONG BIO provides custom synthesis services for Bufogein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.