![3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid structure](/static/products/881/881444-53-7.png)
3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid
TL;DR: 3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid (CAS 881444-53-7) is a chemical compound with molecular formula C15H13ClFNO2 and molecular weight 293.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-6-fluorophenyl)methylamino]-2-methylbenzoic acid
Also Known As: 3-[(2-chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid, AN-465/43369506, 3-[(2-chloro-6-fluorophenyl)methylamino]-2-methylbenzoic acid, 3-(2-Chloro-6-fluoro-benzylamino)-2-methyl-benzoic acid, 3-[(2-chloro-6-fluoro-phenyl)methylamino]-2-methyl-benzoic Acid
| Molecular Formula | C15H13ClFNO2 |
|---|---|
| Molecular Weight | 293.06 g/mol |
| LogP | 4.09782 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.0619 |
| Heavy Atoms | 20 |
| Complexity | 638.06696 |
Chemical Identifiers
| CAS Number | 881444-53-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1NCC2=C(C=CC=C2Cl)F)C(=O)O |
Product Overview
3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid (CAS 881444-53-7), with molecular formula C15H13ClFNO2 and molecular weight 293.06 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methylamino]-2-methylbenzoic acid.
Chemical Property Profile of 3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid
Property Insights of 3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid
The XLogP value of 4.09782 indicates that 3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic 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, 3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic 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 3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid?
The CAS number of 3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid is 881444-53-7.
What is the molecular formula of 3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid?
The molecular formula of 3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid is C15H13ClFNO2.
What is the molecular weight of 3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid?
The molecular weight of 3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid is 293.06 g/mol.
Where can I buy 3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid?
You can request a quote for 3-[(2-Chloro-6-fluorobenzyl)amino]-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-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.