4-Carboxy-2',4'-dinitrodiphenylamine
TL;DR: 4-Carboxy-2',4'-dinitrodiphenylamine (CAS 7221-23-0) is a chemical compound with molecular formula C13H9N3O6 and molecular weight 303.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dinitroanilino)benzoic acid
Also Known As: 4-(2,4-dinitroanilino)benzoic acid, 4-[(2,4-dinitrophenyl)amino]benzoic Acid, Benzoic acid, 4-[(2,4-dinitrophenyl)amino]-, benzoic acid, 4-(2,4-dinitroanilino)-, 4-CARBOXY-2',4'-DINITRODIPHENYLAMINE
| Molecular Formula | C13H9N3O6 |
|---|---|
| Molecular Weight | 303.05 g/mol |
| LogP | 2.9448 |
| Topological Polar Surface Area | 135.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.04913 |
| Heavy Atoms | 22 |
| Complexity | 756.8708 |
Chemical Identifiers
| CAS Number | 7221-23-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-Carboxy-2',4'-dinitrodiphenylamine (CAS 7221-23-0), with molecular formula C13H9N3O6 and molecular weight 303.05 g/mol. IUPAC: 4-(2,4-dinitroanilino)benzoic acid.
Chemical Property Profile of 4-Carboxy-2',4'-dinitrodiphenylamine
Property Insights of 4-Carboxy-2',4'-dinitrodiphenylamine
The XLogP value of 2.9448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carboxy-2',4'-dinitrodiphenylamine. The TPSA of 135.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carboxy-2',4'-dinitrodiphenylamine. Following Lipinski's Rule of Five, 4-Carboxy-2',4'-dinitrodiphenylamine 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 4-Carboxy-2',4'-dinitrodiphenylamine?
The CAS number of 4-Carboxy-2',4'-dinitrodiphenylamine is 7221-23-0.
What is the molecular formula of 4-Carboxy-2',4'-dinitrodiphenylamine?
The molecular formula of 4-Carboxy-2',4'-dinitrodiphenylamine is C13H9N3O6.
What is the molecular weight of 4-Carboxy-2',4'-dinitrodiphenylamine?
The molecular weight of 4-Carboxy-2',4'-dinitrodiphenylamine is 303.05 g/mol.
Where can I buy 4-Carboxy-2',4'-dinitrodiphenylamine?
You can request a quote for 4-Carboxy-2',4'-dinitrodiphenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carboxy-2',4'-dinitrodiphenylamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Carboxy-2',4'-dinitrodiphenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.