4-Anilino-3-nitrobenzoic acid
TL;DR: 4-Anilino-3-nitrobenzoic acid (CAS 16927-49-4) 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.
4-anilino-3-nitrobenzoic acid
Also Known As: 4-anilino-3-nitrobenzoic acid, 3-nitro-4-(phenylamino)benzoic acid, 4-anilino-3-nitro-benzoic Acid, 4-ANILINO-3-NITROBENZOICACID, 3-nitro-4-phenylaminobenzoic acid
| Molecular Formula | C13H10N2O4 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 3.0366 |
| Topological Polar Surface Area | 92.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.06406 |
| Heavy Atoms | 19 |
| Complexity | 625.7953 |
Chemical Identifiers
| CAS Number | 16927-49-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
4-Anilino-3-nitrobenzoic acid (CAS 16927-49-4), with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol. IUPAC: 4-anilino-3-nitrobenzoic acid.
Chemical Property Profile of 4-Anilino-3-nitrobenzoic acid
Property Insights of 4-Anilino-3-nitrobenzoic acid
The XLogP value of 3.0366 indicates that 4-Anilino-3-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Anilino-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-Anilino-3-nitrobenzoic acid has 2 hydrogen bond donor(s) and 4 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-Anilino-3-nitrobenzoic acid?
The CAS number of 4-Anilino-3-nitrobenzoic acid is 16927-49-4.
What is the molecular formula of 4-Anilino-3-nitrobenzoic acid?
The molecular formula of 4-Anilino-3-nitrobenzoic acid is C13H10N2O4.
What is the molecular weight of 4-Anilino-3-nitrobenzoic acid?
The molecular weight of 4-Anilino-3-nitrobenzoic acid is 258.06 g/mol.
Where can I buy 4-Anilino-3-nitrobenzoic acid?
You can request a quote for 4-Anilino-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Anilino-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Anilino-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.