![4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid structure](/static/products/7377/7377-15-3.webp)
4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid
TL;DR: 4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid (CAS 7377-15-3) is a chemical compound with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid
Also Known As: 4-[acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid, 4-{N-[(3-Nitrophenyl)methyl]acetamido}benzoic acid
| Molecular Formula | C16H14N2O5 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.09027 |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 7377-15-3 |
|---|---|
| SMILES | CC(=O)N(CC1=CC(=CC=C1)[N+](=O)[O-])C2=CC=C(C=C2)C(=O)O |
| InChIKey | KHEBBJPFZXQRFT-UHFFFAOYSA-N |
Product Overview
4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid (CAS 7377-15-3), with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol. IUPAC: 4-[acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid.
Chemical Property Profile of 4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid
Property Insights of 4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid has 1 hydrogen bond donor(s) and 5 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-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid?
The CAS number of 4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid is 7377-15-3.
What is the molecular formula of 4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid?
The molecular formula of 4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid is C16H14N2O5.
What is the molecular weight of 4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid?
The molecular weight of 4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid is 314.09 g/mol.
Where can I buy 4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid?
You can request a quote for 4-[Acetyl-[(3-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 4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[Acetyl-[(3-nitrophenyl)methyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.