4-Bromo-3-methylbenzoic acid
TL;DR: 4-Bromo-3-methylbenzoic acid (CAS 7697-28-1) 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-bromo-3-methylbenzoic acid
Also Known As: 4-Bromo-3-methylbenzoic acid, 4-Bromo-m-toluic Acid, 4-Bromo-3-methyl-benzoic acid, 4-Bromo-3-methyl benzoic acid, 4-Bromo-3-methylbenzoicacid
| Molecular Formula | C8H7BrO2 |
|---|---|
| Molecular Weight | 213.96 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.96294 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 7697-28-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)O)Br |
| InChIKey | KWVXDZLVCISXIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-3-methylbenzoic acid (CAS 7697-28-1), with molecular formula C8H7BrO2 and molecular weight 213.96 g/mol. IUPAC: 4-bromo-3-methylbenzoic acid.
Chemical Property Profile of 4-Bromo-3-methylbenzoic acid
Property Insights of 4-Bromo-3-methylbenzoic acid
The XLogP value of 3.1 indicates that 4-Bromo-3-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Bromo-3-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-methylbenzoic 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-Bromo-3-methylbenzoic acid?
The CAS number of 4-Bromo-3-methylbenzoic acid is 7697-28-1.
What is the molecular formula of 4-Bromo-3-methylbenzoic acid?
The molecular formula of 4-Bromo-3-methylbenzoic acid is C8H7BrO2.
What is the molecular weight of 4-Bromo-3-methylbenzoic acid?
The molecular weight of 4-Bromo-3-methylbenzoic acid is 213.96 g/mol.
Where can I buy 4-Bromo-3-methylbenzoic acid?
You can request a quote for 4-Bromo-3-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.