4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid
TL;DR: 4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid (CAS 312596-46-6) is a chemical compound with molecular formula C14H10N2O5 and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino]benzoic acid
Also Known As: BAS 01280728, 4-((4-nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid, 4-(4-Nitro-7-oxo-cyclohepta-1,3,5-trienylamino)-benzoic acid, 4-[(4-nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino]benzoic acid, (7E)-7-[(4-carboxyphenyl)iminio]-4-nitrocyclohepta-1,3,5-trien-1-olate
| Molecular Formula | C14H10N2O5 |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 2.3968 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.05896 |
| Heavy Atoms | 21 |
| Complexity | 755.95685 |
Chemical Identifiers
| CAS Number | 312596-46-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC2=CC=C(C=CC2=O)[N+](=O)[O-] |
Product Overview
4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid (CAS 312596-46-6), with molecular formula C14H10N2O5 and molecular weight 286.06 g/mol. IUPAC: 4-[(4-nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino]benzoic acid.
Chemical Property Profile of 4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid
Property Insights of 4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid
The XLogP value of 2.3968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid. Following Lipinski's Rule of Five, 4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid has 2 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-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid?
The CAS number of 4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid is 312596-46-6.
What is the molecular formula of 4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid?
The molecular formula of 4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid is C14H10N2O5.
What is the molecular weight of 4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid?
The molecular weight of 4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid is 286.06 g/mol.
Where can I buy 4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid?
You can request a quote for 4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-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 4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.