4-(Bromomethyl)benzoic acid
TL;DR: 4-(Bromomethyl)benzoic acid (CAS 6232-88-8) 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.
4-(bromomethyl)benzoic acid
Also Known As: 4-(BROMOMETHYL)BENZOIC ACID, 4-Bromomethylbenzoic acid, Benzoic acid, 4-(bromomethyl)-, alpha-Bromo-p-toluic acid, p-(Bromomethyl)benzoic acid
| Molecular Formula | C8H7BrO2 |
|---|---|
| Molecular Weight | 213.96 g/mol |
| LogP | 2.4 |
| 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 | 139.0 |
Chemical Identifiers
| CAS Number | 6232-88-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CBr)C(=O)O |
| InChIKey | CQQSQBRPAJSTFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Bromomethyl)benzoic acid (CAS 6232-88-8), with molecular formula C8H7BrO2 and molecular weight 213.96 g/mol. IUPAC: 4-(bromomethyl)benzoic acid.
Chemical Property Profile of 4-(Bromomethyl)benzoic acid
Property Insights of 4-(Bromomethyl)benzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bromomethyl)benzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(Bromomethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bromomethyl)benzoic 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 4-(Bromomethyl)benzoic acid?
The CAS number of 4-(Bromomethyl)benzoic acid is 6232-88-8.
What is the molecular formula of 4-(Bromomethyl)benzoic acid?
The molecular formula of 4-(Bromomethyl)benzoic acid is C8H7BrO2.
What is the molecular weight of 4-(Bromomethyl)benzoic acid?
The molecular weight of 4-(Bromomethyl)benzoic acid is 213.96 g/mol.
Where can I buy 4-(Bromomethyl)benzoic acid?
You can request a quote for 4-(Bromomethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Bromomethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bromomethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.