4-Acetamido-3-nitrobenzoic acid
TL;DR: 4-Acetamido-3-nitrobenzoic acid (CAS 1539-06-6) is a chemical compound with molecular formula C9H8N2O5 and molecular weight 224.04332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-acetamido-3-nitrobenzoic acid
Also Known As: 4-Acetamido-3-nitrobenzoic acid, 4-(Acetylamino)-3-nitrobenzoic acid, COMPOUND A1, 4-Acetamino-3-nitrobenzoic acid, BENZOIC ACID, 4-(ACETYLAMINO)-3-NITRO-
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8N2O5 |
| Molecular Weight | 224.04332 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.04332 Da |
| Heavy Atoms | 16 |
| Complexity | 312.0 |
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] |
| InChIKey | BRQIMWBIZLRLSV-UHFFFAOYSA-N |
Chemical Property Profile of 4-Acetamido-3-nitrobenzoic acid
Property Insights of 4-Acetamido-3-nitrobenzoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetamido-3-nitrobenzoic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetamido-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-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
What is the CAS number of 4-Acetamido-3-nitrobenzoic acid?
The CAS number of 4-Acetamido-3-nitrobenzoic acid is 1539-06-6.
What is the molecular formula of 4-Acetamido-3-nitrobenzoic acid?
The molecular formula of 4-Acetamido-3-nitrobenzoic acid is C9H8N2O5.
What is the molecular weight of 4-Acetamido-3-nitrobenzoic acid?
The molecular weight of 4-Acetamido-3-nitrobenzoic acid is 224.04332 g/mol.
Where can I buy 4-Acetamido-3-nitrobenzoic acid?
You can request a quote for 4-Acetamido-3-nitrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Acetamido-3-nitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Acetamido-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.