Bromo(phenyl)acetic acid
TL;DR: Bromo(phenyl)acetic acid (CAS 4870-65-9) is a chemical compound with molecular formula C8H7BrO2 and molecular weight 213.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2-phenylacetic acid
Also Known As: 2-bromo-2-phenylacetic acid, alpha-Bromophenylacetic acid, Bromo(phenyl)acetic acid, bromophenylacetic acid, qvyer
| Molecular Formula | C8H7BrO2 |
|---|---|
| Molecular Weight | 213.96 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.96294 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 4870-65-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)Br |
| InChIKey | WAKFRZBXTKUFIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromo(phenyl)acetic acid (CAS 4870-65-9), with molecular formula C8H7BrO2 and molecular weight 213.96 g/mol. IUPAC: 2-bromo-2-phenylacetic acid.
Chemical Property Profile of Bromo(phenyl)acetic acid
Property Insights of Bromo(phenyl)acetic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromo(phenyl)acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Bromo(phenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromo(phenyl)acetic acid has 1 hydrogen bond donor(s) and 2 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 Bromo(phenyl)acetic acid?
The CAS number of Bromo(phenyl)acetic acid is 4870-65-9.
What is the molecular formula of Bromo(phenyl)acetic acid?
The molecular formula of Bromo(phenyl)acetic acid is C8H7BrO2.
What is the molecular weight of Bromo(phenyl)acetic acid?
The molecular weight of Bromo(phenyl)acetic acid is 213.96 g/mol.
Where can I buy Bromo(phenyl)acetic acid?
You can request a quote for Bromo(phenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromo(phenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for Bromo(phenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.