4-Bromobenzoylpyruvic acid
TL;DR: 4-Bromobenzoylpyruvic acid (CAS 58303-63-2) is a chemical compound with molecular formula C10H7BrO4 and molecular weight 269.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-2,4-dioxobutanoic acid
Also Known As: Sacchettini_9, 4-bromobenzoylpyruvic acid, 4-(4-bromophenyl)-2,4-dioxobutanoic acid, 4-(4-bromo-phenyl)-2,4-dioxo-butyric acid
| Molecular Formula | C10H7BrO4 |
|---|---|
| Molecular Weight | 269.95 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.95276 |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 58303-63-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CC(=O)C(=O)O)Br |
| InChIKey | NSCNXWAIHZYLQH-UHFFFAOYSA-N |
Product Overview
4-Bromobenzoylpyruvic acid (CAS 58303-63-2), with molecular formula C10H7BrO4 and molecular weight 269.95 g/mol. IUPAC: 4-(4-bromophenyl)-2,4-dioxobutanoic acid.
Chemical Property Profile of 4-Bromobenzoylpyruvic acid
Property Insights of 4-Bromobenzoylpyruvic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromobenzoylpyruvic acid. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromobenzoylpyruvic acid. Following Lipinski's Rule of Five, 4-Bromobenzoylpyruvic acid 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 4-Bromobenzoylpyruvic acid?
The CAS number of 4-Bromobenzoylpyruvic acid is 58303-63-2.
What is the molecular formula of 4-Bromobenzoylpyruvic acid?
The molecular formula of 4-Bromobenzoylpyruvic acid is C10H7BrO4.
What is the molecular weight of 4-Bromobenzoylpyruvic acid?
The molecular weight of 4-Bromobenzoylpyruvic acid is 269.95 g/mol.
Where can I buy 4-Bromobenzoylpyruvic acid?
You can request a quote for 4-Bromobenzoylpyruvic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromobenzoylpyruvic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobenzoylpyruvic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.