3-Acetylamino-2-nitrobenzoic acid
TL;DR: 3-Acetylamino-2-nitrobenzoic acid (CAS 5413-84-3) 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.
3-acetamido-2-nitrobenzoic acid
Also Known As: 3-acetamido-2-nitrobenzoic acid, 3-Acetylamino-2-nitrobenzoic acid, acetamido-nitrobenzoic acid, 3-(acetylamino)-2-nitrobenzoic acid, 3-Acetamido-2-nitro benzoic acid
| Molecular Formula | C9H8N2O5 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 1.7 |
| 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 | 5413-84-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC(=C1[N+](=O)[O-])C(=O)O |
| InChIKey | FOXLFUZFWTYAME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetylamino-2-nitrobenzoic acid (CAS 5413-84-3), with molecular formula C9H8N2O5 and molecular weight 224.04 g/mol. IUPAC: 3-acetamido-2-nitrobenzoic acid.
Chemical Property Profile of 3-Acetylamino-2-nitrobenzoic acid
Property Insights of 3-Acetylamino-2-nitrobenzoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetylamino-2-nitrobenzoic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetylamino-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-Acetylamino-2-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 3-Acetylamino-2-nitrobenzoic acid?
The CAS number of 3-Acetylamino-2-nitrobenzoic acid is 5413-84-3.
What is the molecular formula of 3-Acetylamino-2-nitrobenzoic acid?
The molecular formula of 3-Acetylamino-2-nitrobenzoic acid is C9H8N2O5.
What is the molecular weight of 3-Acetylamino-2-nitrobenzoic acid?
The molecular weight of 3-Acetylamino-2-nitrobenzoic acid is 224.04 g/mol.
Where can I buy 3-Acetylamino-2-nitrobenzoic acid?
You can request a quote for 3-Acetylamino-2-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetylamino-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetylamino-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.