![3-[(4-Fluorobenzyl)amino]benzoic acid structure](/static/products/7186/718602-89-2.webp)
3-[(4-Fluorobenzyl)amino]benzoic acid
TL;DR: 3-[(4-Fluorobenzyl)amino]benzoic acid (CAS 718602-89-2) is a chemical compound with molecular formula C14H12FNO2 and molecular weight 245.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methylamino]benzoic acid
Also Known As: 3-[(4-fluorobenzyl)amino]benzoic acid, 3-( BENZOICACID, 3-[(4-fluorophenyl)methylamino]benzoic Acid, 3-((4-Fluorobenzyl)amino)benzoic acid, 3-{[(4-fluorophenyl)methyl]amino}benzoic acid
| Molecular Formula | C14H12FNO2 |
|---|---|
| Molecular Weight | 245.09 g/mol |
| LogP | 3.136 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.0852 |
| Heavy Atoms | 18 |
| Complexity | 551.9754 |
Chemical Identifiers
| CAS Number | 718602-89-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NCC2=CC=C(C=C2)F)C(=O)O |
Product Overview
3-[(4-Fluorobenzyl)amino]benzoic acid (CAS 718602-89-2), with molecular formula C14H12FNO2 and molecular weight 245.09 g/mol. IUPAC: 3-[(4-fluorophenyl)methylamino]benzoic acid.
Chemical Property Profile of 3-[(4-Fluorobenzyl)amino]benzoic acid
Property Insights of 3-[(4-Fluorobenzyl)amino]benzoic acid
The XLogP value of 3.136 indicates that 3-[(4-Fluorobenzyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, 3-[(4-Fluorobenzyl)amino]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Fluorobenzyl)amino]benzoic 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-[(4-Fluorobenzyl)amino]benzoic acid?
The CAS number of 3-[(4-Fluorobenzyl)amino]benzoic acid is 718602-89-2.
What is the molecular formula of 3-[(4-Fluorobenzyl)amino]benzoic acid?
The molecular formula of 3-[(4-Fluorobenzyl)amino]benzoic acid is C14H12FNO2.
What is the molecular weight of 3-[(4-Fluorobenzyl)amino]benzoic acid?
The molecular weight of 3-[(4-Fluorobenzyl)amino]benzoic acid is 245.09 g/mol.
Where can I buy 3-[(4-Fluorobenzyl)amino]benzoic acid?
You can request a quote for 3-[(4-Fluorobenzyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Fluorobenzyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Fluorobenzyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.