![3-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid structure](/static/products/312/312927-54-1.png)
3-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid
TL;DR: 3-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid (CAS 312927-54-1) is a chemical compound with molecular formula C16H10N2O6 and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-nitro-2-oxochromen-4-yl)amino]benzoic acid
Also Known As: 3-[(3-nitro-2-oxochromen-4-yl)amino]benzoic acid, 3-[(3-nitro-2-oxo-chromen-4-yl)amino]benzoic Acid, 3-((3-nitro-2-oxo-2H-chromen-4-yl)amino)benzoic acid, 3-(3-Nitro-2-oxo-2H-chromen-4-ylamino)-benzoic acid, 3-[(3-nitro-2-oxo-2H-chromen-4-yl)amino]benzoic acid
| Molecular Formula | C16H10N2O6 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 3.143 |
| Topological Polar Surface Area | 122.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.0539 |
| Heavy Atoms | 24 |
| Complexity | 1024.4966 |
Chemical Identifiers
| CAS Number | 312927-54-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid (CAS 312927-54-1), with molecular formula C16H10N2O6 and molecular weight 326.05 g/mol. IUPAC: 3-[(3-nitro-2-oxochromen-4-yl)amino]benzoic acid.
Chemical Property Profile of 3-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid
Property Insights of 3-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid
The XLogP value of 3.143 indicates that 3-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid has 2 hydrogen bond donor(s) and 6 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-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid?
The CAS number of 3-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid is 312927-54-1.
What is the molecular formula of 3-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid?
The molecular formula of 3-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid is C16H10N2O6.
What is the molecular weight of 3-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid?
The molecular weight of 3-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid is 326.05 g/mol.
Where can I buy 3-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid?
You can request a quote for 3-[(3-Nitro-2-oxochromen-4-yl)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-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Nitro-2-oxochromen-4-yl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.