![4-[(4-Aminophenyl)methyl]benzoic acid structure](/static/products/1009/10099-39-5.webp)
4-[(4-Aminophenyl)methyl]benzoic acid
TL;DR: 4-[(4-Aminophenyl)methyl]benzoic acid (CAS 10099-39-5) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-aminophenyl)methyl]benzoic acid
Also Known As: 4-[(4-aminophenyl)methyl]benzoic acid, 1,1'-[2-(benzylsulfonyl)-2-(methylsulfonyl)ethene-1,1-diyl]dipiperidine
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 10099-39-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)N)C(=O)O |
| InChIKey | KACYBLNWLGHEGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(4-Aminophenyl)methyl]benzoic acid (CAS 10099-39-5), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: 4-[(4-aminophenyl)methyl]benzoic acid.
Chemical Property Profile of 4-[(4-Aminophenyl)methyl]benzoic acid
Property Insights of 4-[(4-Aminophenyl)methyl]benzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Aminophenyl)methyl]benzoic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Aminophenyl)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(4-Aminophenyl)methyl]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
Frequently Asked Questions
What is the CAS number of 4-[(4-Aminophenyl)methyl]benzoic acid?
The CAS number of 4-[(4-Aminophenyl)methyl]benzoic acid is 10099-39-5.
What is the molecular formula of 4-[(4-Aminophenyl)methyl]benzoic acid?
The molecular formula of 4-[(4-Aminophenyl)methyl]benzoic acid is C14H13NO2.
What is the molecular weight of 4-[(4-Aminophenyl)methyl]benzoic acid?
The molecular weight of 4-[(4-Aminophenyl)methyl]benzoic acid is 227.09 g/mol.
Where can I buy 4-[(4-Aminophenyl)methyl]benzoic acid?
You can request a quote for 4-[(4-Aminophenyl)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Aminophenyl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Aminophenyl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.