3-((4-Nitrophenyl)amino)benzoic acid
TL;DR: 3-((4-Nitrophenyl)amino)benzoic acid (CAS 855293-65-1) is a chemical compound with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitroanilino)benzoic acid
Also Known As: 3-(4-nitroanilino)benzoic acid, 3-[(4-nitrophenyl)amino]benzoic Acid, 3-((4-Nitrophenyl)Amino)Benzoic Acid, 3-[N-(4-nitrophenyl)amino]benzoic acid, 887-938-1
| Molecular Formula | C13H10N2O4 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 3.0366 |
| Topological Polar Surface Area | 92.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.06406 |
| Heavy Atoms | 19 |
| Complexity | 622.7953 |
Chemical Identifiers
| CAS Number | 855293-65-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
Product Overview
3-((4-Nitrophenyl)amino)benzoic acid (CAS 855293-65-1), with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol. IUPAC: 3-(4-nitroanilino)benzoic acid.
Chemical Property Profile of 3-((4-Nitrophenyl)amino)benzoic acid
Property Insights of 3-((4-Nitrophenyl)amino)benzoic acid
The XLogP value of 3.0366 indicates that 3-((4-Nitrophenyl)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Nitrophenyl)amino)benzoic acid. Following Lipinski's Rule of Five, 3-((4-Nitrophenyl)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 3-((4-Nitrophenyl)amino)benzoic acid?
The CAS number of 3-((4-Nitrophenyl)amino)benzoic acid is 855293-65-1.
What is the molecular formula of 3-((4-Nitrophenyl)amino)benzoic acid?
The molecular formula of 3-((4-Nitrophenyl)amino)benzoic acid is C13H10N2O4.
What is the molecular weight of 3-((4-Nitrophenyl)amino)benzoic acid?
The molecular weight of 3-((4-Nitrophenyl)amino)benzoic acid is 258.06 g/mol.
Where can I buy 3-((4-Nitrophenyl)amino)benzoic acid?
You can request a quote for 3-((4-Nitrophenyl)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-Nitrophenyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Nitrophenyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.