2-Acetamido-3-nitrobenzoic acid
TL;DR: 2-Acetamido-3-nitrobenzoic acid (CAS 90417-80-4) is a chemical compound with molecular formula C9H8N2O5 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-nitrobenzoic acid
Also Known As: 2-Acetamido-3-nitrobenzoic acid, 5-Nitroacetanthranilsaeure, 2-Acetylamino-3-nitrobenzoic acid, 2-(Acetylamino)-3-nitrobenzoic acid, Benzoic acid, 2-(acetylamino)-3-nitro-
| Molecular Formula | C9H8N2O5 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.04332 |
| Heavy Atoms | 16 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 90417-80-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)O |
| InChIKey | YLXNPMSVXYVEHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetamido-3-nitrobenzoic acid (CAS 90417-80-4), with molecular formula C9H8N2O5 and molecular weight 224.04 g/mol. IUPAC: 2-acetamido-3-nitrobenzoic acid.
Chemical Property Profile of 2-Acetamido-3-nitrobenzoic acid
Property Insights of 2-Acetamido-3-nitrobenzoic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetamido-3-nitrobenzoic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetamido-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-Acetamido-3-nitrobenzoic 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 2-Acetamido-3-nitrobenzoic acid?
The CAS number of 2-Acetamido-3-nitrobenzoic acid is 90417-80-4.
What is the molecular formula of 2-Acetamido-3-nitrobenzoic acid?
The molecular formula of 2-Acetamido-3-nitrobenzoic acid is C9H8N2O5.
What is the molecular weight of 2-Acetamido-3-nitrobenzoic acid?
The molecular weight of 2-Acetamido-3-nitrobenzoic acid is 224.04 g/mol.
Where can I buy 2-Acetamido-3-nitrobenzoic acid?
You can request a quote for 2-Acetamido-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 2-Acetamido-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetamido-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.