Barium butyrate
TL;DR: Barium butyrate (CAS 31416-33-8) is a chemical compound with molecular formula C8H14BaO4 and molecular weight 311.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);butanoate
Also Known As: Barium butyrate, Bariumbutyrat
| Molecular Formula | C8H14BaO4 |
|---|---|
| Molecular Weight | 311.99 g/mol |
| LogP | -1.308 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.99445 |
| Heavy Atoms | 13 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 31416-33-8 |
|---|---|
| SMILES | CCCC(=O)[O-].CCCC(=O)[O-].[Ba+2] |
| InChIKey | AESMDVCWMVZFRQ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Barium butyrate (CAS 31416-33-8), with molecular formula C8H14BaO4 and molecular weight 311.99 g/mol. IUPAC: barium(2+);butanoate.
Chemical Property Profile of Barium butyrate
Property Insights of Barium butyrate
The XLogP value of -1.308 indicates that Barium butyrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barium butyrate. Following Lipinski's Rule of Five, Barium butyrate has 0 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 Barium butyrate?
The CAS number of Barium butyrate is 31416-33-8.
What is the molecular formula of Barium butyrate?
The molecular formula of Barium butyrate is C8H14BaO4.
What is the molecular weight of Barium butyrate?
The molecular weight of Barium butyrate is 311.99 g/mol.
Where can I buy Barium butyrate?
You can request a quote for Barium butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barium butyrate?
Yes, KEHONG BIO provides custom synthesis services for Barium butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.