3-Bromo-2-methylbenzoic Acid
TL;DR: 3-Bromo-2-methylbenzoic Acid (CAS 42444-14-4) 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.
3-bromo-2-methylbenzoic acid
Also Known As: 3-Bromo-2-methylbenzoic acid, null, 3-Bromo-o-toluic Acid, 3-bromo-2-methyl-benzoic Acid, 2-methyl-3-bromobenzoic acid
| Molecular Formula | C8H7BrO2 |
|---|---|
| Molecular Weight | 213.96 g/mol |
| LogP | 2.45572 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.96294 |
| Heavy Atoms | 11 |
| Complexity | 294.1436 |
Chemical Identifiers
| CAS Number | 42444-14-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1Br)C(=O)O |
Product Overview
3-Bromo-2-methylbenzoic Acid (CAS 42444-14-4), with molecular formula C8H7BrO2 and molecular weight 213.96 g/mol. IUPAC: 3-bromo-2-methylbenzoic acid.
Chemical Property Profile of 3-Bromo-2-methylbenzoic Acid
Property Insights of 3-Bromo-2-methylbenzoic Acid
The XLogP value of 2.45572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2-methylbenzoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Bromo-2-methylbenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-methylbenzoic Acid has 1 hydrogen bond donor(s) and 1 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 3-Bromo-2-methylbenzoic Acid?
The CAS number of 3-Bromo-2-methylbenzoic Acid is 42444-14-4.
What is the molecular formula of 3-Bromo-2-methylbenzoic Acid?
The molecular formula of 3-Bromo-2-methylbenzoic Acid is C8H7BrO2.
What is the molecular weight of 3-Bromo-2-methylbenzoic Acid?
The molecular weight of 3-Bromo-2-methylbenzoic Acid is 213.96 g/mol.
Where can I buy 3-Bromo-2-methylbenzoic Acid?
You can request a quote for 3-Bromo-2-methylbenzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2-methylbenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-methylbenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.