2-Amino-6-bromo-5-methylbenzoic acid
TL;DR: 2-Amino-6-bromo-5-methylbenzoic acid (CAS 147149-85-7) is a chemical compound with molecular formula C8H8BrNO2 and molecular weight 228.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-bromo-3-methylbenzoic acid
Also Known As: 6-Amino-2-bromo-3-methylbenzoic acid, 2-Amino-6-bromo-5-methylbenzoic acid, ChemDiv2_002392, Benzoic acid, 6-amino-2-bromo-3-methyl-, ZERO/001458
| Molecular Formula | C8H8BrNO2 |
|---|---|
| Molecular Weight | 228.97 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.97385 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 147149-85-7 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)N)C(=O)O)Br |
| InChIKey | DESUDZIADGQZIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-6-bromo-5-methylbenzoic acid (CAS 147149-85-7), with molecular formula C8H8BrNO2 and molecular weight 228.97 g/mol. IUPAC: 6-amino-2-bromo-3-methylbenzoic acid.
Chemical Property Profile of 2-Amino-6-bromo-5-methylbenzoic acid
Property Insights of 2-Amino-6-bromo-5-methylbenzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-6-bromo-5-methylbenzoic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-6-bromo-5-methylbenzoic acid. Following Lipinski's Rule of Five, 2-Amino-6-bromo-5-methylbenzoic acid has 2 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-Amino-6-bromo-5-methylbenzoic acid?
The CAS number of 2-Amino-6-bromo-5-methylbenzoic acid is 147149-85-7.
What is the molecular formula of 2-Amino-6-bromo-5-methylbenzoic acid?
The molecular formula of 2-Amino-6-bromo-5-methylbenzoic acid is C8H8BrNO2.
What is the molecular weight of 2-Amino-6-bromo-5-methylbenzoic acid?
The molecular weight of 2-Amino-6-bromo-5-methylbenzoic acid is 228.97 g/mol.
Where can I buy 2-Amino-6-bromo-5-methylbenzoic acid?
You can request a quote for 2-Amino-6-bromo-5-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-6-bromo-5-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-6-bromo-5-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.