2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid
TL;DR: 2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid (CAS 212628-57-4) is a chemical compound with molecular formula C14H10BrF2NO2 and molecular weight 340.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-2-methylanilino)-3,4-difluorobenzoic acid
Also Known As: Benzoic acid,2-[(4-bromo-2-methylphenyl)amino]-3,4-difluoro-, 2-[(4-bromo-2-methyl-phenyl)amino]-3,4-difluoro-benzoic Acid
| Molecular Formula | C14H10BrF2NO2 |
|---|---|
| Molecular Weight | 340.99 g/mol |
| LogP | 4.47752 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.9863 |
| Heavy Atoms | 20 |
| Complexity | 689.1144 |
Chemical Identifiers
| CAS Number | 212628-57-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NC2=C(C=CC(=C2F)F)C(=O)O |
Product Overview
2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid (CAS 212628-57-4), with molecular formula C14H10BrF2NO2 and molecular weight 340.99 g/mol. IUPAC: 2-(4-bromo-2-methylanilino)-3,4-difluorobenzoic acid.
Chemical Property Profile of 2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid
Property Insights of 2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid
The XLogP value of 4.47752 indicates that 2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, 2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid has 2 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 2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid?
The CAS number of 2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid is 212628-57-4.
What is the molecular formula of 2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid?
The molecular formula of 2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid is C14H10BrF2NO2.
What is the molecular weight of 2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid?
The molecular weight of 2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid is 340.99 g/mol.
Where can I buy 2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid?
You can request a quote for 2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromo-2-methylanilino)-3,4-difluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.