![2-[[(2-Nitrophenyl)methyl]amino]benzoic acid structure](/static/products/4253/42533-64-2.webp)
2-[[(2-Nitrophenyl)methyl]amino]benzoic acid
TL;DR: 2-[[(2-Nitrophenyl)methyl]amino]benzoic acid (CAS 42533-64-2) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-nitrophenyl)methylamino]benzoic acid
Also Known As: 2-[(2-nitrophenyl)methylamino]benzoic Acid, 2-[[(2-Nitrophenyl)methyl]amino]benzoic acid, 2-N-(2'-nitrophenylmethyl)aminobenzoic acid, 2-{[(2-Nitrophenyl)methyl]amino}benzoic acid
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 2.9051 |
| Topological Polar Surface Area | 92.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 597.6271 |
Chemical Identifiers
| CAS Number | 42533-64-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC2=CC=CC=C2C(=O)O)[N+](=O)[O-] |
Product Overview
2-[[(2-Nitrophenyl)methyl]amino]benzoic acid (CAS 42533-64-2), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: 2-[(2-nitrophenyl)methylamino]benzoic acid.
Chemical Property Profile of 2-[[(2-Nitrophenyl)methyl]amino]benzoic acid
Property Insights of 2-[[(2-Nitrophenyl)methyl]amino]benzoic acid
The XLogP value of 2.9051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[(2-Nitrophenyl)methyl]amino]benzoic acid. The TPSA of 92.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[(2-Nitrophenyl)methyl]amino]benzoic acid. Following Lipinski's Rule of Five, 2-[[(2-Nitrophenyl)methyl]amino]benzoic acid has 2 hydrogen bond donor(s) and 4 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-[[(2-Nitrophenyl)methyl]amino]benzoic acid?
The CAS number of 2-[[(2-Nitrophenyl)methyl]amino]benzoic acid is 42533-64-2.
What is the molecular formula of 2-[[(2-Nitrophenyl)methyl]amino]benzoic acid?
The molecular formula of 2-[[(2-Nitrophenyl)methyl]amino]benzoic acid is C14H12N2O4.
What is the molecular weight of 2-[[(2-Nitrophenyl)methyl]amino]benzoic acid?
The molecular weight of 2-[[(2-Nitrophenyl)methyl]amino]benzoic acid is 272.08 g/mol.
Where can I buy 2-[[(2-Nitrophenyl)methyl]amino]benzoic acid?
You can request a quote for 2-[[(2-Nitrophenyl)methyl]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 2-[[(2-Nitrophenyl)methyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[(2-Nitrophenyl)methyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.