2-(4-Bromophenyl)-2-oxoacetic acid
TL;DR: 2-(4-Bromophenyl)-2-oxoacetic acid (CAS 7099-87-8) is a chemical compound with molecular formula C8H5BrO3 and molecular weight 227.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-2-oxoacetic acid
Also Known As: 2-(4-bromophenyl)-2-oxoacetic acid, 4-Bromobenzoylformic acid, 4-bromophenylglyoxylic acid, (4-Bromophenyl)(oxo)acetic acid, 4-Bromophenyloxoacetic acid
| Molecular Formula | C8H5BrO3 |
|---|---|
| Molecular Weight | 227.94 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.94221 |
| Heavy Atoms | 12 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 7099-87-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C(=O)O)Br |
| InChIKey | UASZGGQRDGLTIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Bromophenyl)-2-oxoacetic acid (CAS 7099-87-8), with molecular formula C8H5BrO3 and molecular weight 227.94 g/mol. IUPAC: 2-(4-bromophenyl)-2-oxoacetic acid.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoacetic acid
Property Insights of 2-(4-Bromophenyl)-2-oxoacetic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromophenyl)-2-oxoacetic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 2-(4-Bromophenyl)-2-oxoacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoacetic acid has 1 hydrogen bond donor(s) and 3 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 2-(4-Bromophenyl)-2-oxoacetic acid?
The CAS number of 2-(4-Bromophenyl)-2-oxoacetic acid is 7099-87-8.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoacetic acid?
The molecular formula of 2-(4-Bromophenyl)-2-oxoacetic acid is C8H5BrO3.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoacetic acid?
The molecular weight of 2-(4-Bromophenyl)-2-oxoacetic acid is 227.94 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoacetic acid?
You can request a quote for 2-(4-Bromophenyl)-2-oxoacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-2-oxoacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.