N-间硝基苯基邻氨基苯甲酸
TL;DR: N-间硝基苯基邻氨基苯甲酸 (CAS 27693-70-5) is a chemical compound with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-间硝基苯基邻氨基苯甲酸
2-(3-nitroanilino)benzoic acid
Also Known As: 2-(3-nitroanilino)benzoic acid, N-m-Nitrophenylanthranilic acid, N-(3-Nitrophenyl)Anthranilic Acid, Anthranilic acid, N-(m-nitrophenyl)-, Anthranilic acid, N-m-nitrophenyl-
| Molecular Formula | C13H10N2O4 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.06406 |
| Heavy Atoms | 19 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 27693-70-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | NBJRFLIUYUFOIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-间硝基苯基邻氨基苯甲酸 (CAS 27693-70-5), with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol. IUPAC: 2-(3-nitroanilino)benzoic acid.
Chemical Property Profile of N-间硝基苯基邻氨基苯甲酸
Property Insights of N-间硝基苯基邻氨基苯甲酸
The XLogP value of 4.6 indicates that N-间硝基苯基邻氨基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-间硝基苯基邻氨基苯甲酸. Following Lipinski's Rule of Five, N-间硝基苯基邻氨基苯甲酸 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 N-间硝基苯基邻氨基苯甲酸?
The CAS number of N-间硝基苯基邻氨基苯甲酸 is 27693-70-5.
What is the molecular formula of N-间硝基苯基邻氨基苯甲酸?
The molecular formula of N-间硝基苯基邻氨基苯甲酸 is C13H10N2O4.
What is the molecular weight of N-间硝基苯基邻氨基苯甲酸?
The molecular weight of N-间硝基苯基邻氨基苯甲酸 is 258.06 g/mol.
Where can I buy N-间硝基苯基邻氨基苯甲酸?
You can request a quote for N-间硝基苯基邻氨基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-间硝基苯基邻氨基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for N-间硝基苯基邻氨基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.