2-((4-Chlorobenzyl)amino)benzoic acid
TL;DR: 2-((4-Chlorobenzyl)amino)benzoic acid (CAS 14345-04-1) is a chemical compound with molecular formula C14H12ClNO2 and molecular weight 261.05566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-chlorophenyl)methylamino]benzoic acid
Also Known As: 2-[(4-chlorobenzyl)amino]benzoic acid, 2-Butanone, ChemDiv3_014151, 2-[(4-Chlorobenzyl)amino]benzenecarboxylic acid, 2-((4-Chlorobenzyl)amino)benzoic acid
Technical Specifications
| Molecular Formula | C14H12ClNO2 |
| Molecular Weight | 261.05566 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.05566 Da |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)NCC2=CC=C(C=C2)Cl |
| InChIKey | PYDHJEAJTKCFKR-UHFFFAOYSA-N |
Chemical Property Profile of 2-((4-Chlorobenzyl)amino)benzoic acid
Property Insights of 2-((4-Chlorobenzyl)amino)benzoic acid
The XLogP value of 4.2 indicates that 2-((4-Chlorobenzyl)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, 2-((4-Chlorobenzyl)amino)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Chlorobenzyl)amino)benzoic 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
What is the CAS number of 2-((4-Chlorobenzyl)amino)benzoic acid?
The CAS number of 2-((4-Chlorobenzyl)amino)benzoic acid is 14345-04-1.
What is the molecular formula of 2-((4-Chlorobenzyl)amino)benzoic acid?
The molecular formula of 2-((4-Chlorobenzyl)amino)benzoic acid is C14H12ClNO2.
What is the molecular weight of 2-((4-Chlorobenzyl)amino)benzoic acid?
The molecular weight of 2-((4-Chlorobenzyl)amino)benzoic acid is 261.05566 g/mol.
Where can I buy 2-((4-Chlorobenzyl)amino)benzoic acid?
You can request a quote for 2-((4-Chlorobenzyl)amino)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((4-Chlorobenzyl)amino)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-((4-Chlorobenzyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.