Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro-
TL;DR: Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro- (CAS 36068-70-9) is a chemical compound with molecular formula C14H10N2O6 and molecular weight 302.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-carboxyanilino)-3-nitrobenzoic acid
Also Known As: 2-(3-Carboxyanilino)-3-nitrobenzoic acid, Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro-, 2-[(3-carboxyphenyl)amino]-3-nitrobenzoic acid, 2-(3-Carboxyanilino)-3-nitrobenzoesaeure, NCI60_034318
| Molecular Formula | C14H10N2O6 |
|---|---|
| Molecular Weight | 302.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.0539 |
| Heavy Atoms | 22 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 36068-70-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C(=O)O |
| InChIKey | OADNRDRCKJFASV-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro- (CAS 36068-70-9), with molecular formula C14H10N2O6 and molecular weight 302.05 g/mol. IUPAC: 2-(3-carboxyanilino)-3-nitrobenzoic acid.
Chemical Property Profile of Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro-
Property Insights of Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro-
The XLogP value of 4.1 indicates that Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro-. Following Lipinski's Rule of Five, Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro- has 3 hydrogen bond donor(s) and 7 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 Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro-?
The CAS number of Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro- is 36068-70-9.
What is the molecular formula of Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro-?
The molecular formula of Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro- is C14H10N2O6.
What is the molecular weight of Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro-?
The molecular weight of Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro- is 302.05 g/mol.
Where can I buy Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro-?
You can request a quote for Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.