3-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid
TL;DR: 3-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid (CAS 162252-44-0) is a chemical compound with molecular formula C11H10N2O7 and molecular weight 282.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-3-acetyloxy-5-nitrobenzoic acid
Also Known As: 3-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid, 4-acetamido-3-acetoxy-5-nitro-benzoic acid, 4-acetamido-3-acetyloxy-5-nitrobenzoic acid, 3-(acetyloxy)-4-acetamido-5-nitrobenzoic acid, 4-(Acetylamino)-3-acetoxy-5-nitrobenzoic acid
| Molecular Formula | C11H10N2O7 |
|---|---|
| Molecular Weight | 282.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.0488 |
| Heavy Atoms | 20 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 162252-44-0 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1OC(=O)C)C(=O)O)[N+](=O)[O-] |
| InChIKey | GYXSFLQTJJYBDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid (CAS 162252-44-0), with molecular formula C11H10N2O7 and molecular weight 282.05 g/mol. IUPAC: 4-acetamido-3-acetyloxy-5-nitrobenzoic acid.
Chemical Property Profile of 3-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid
Property Insights of 3-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid. Following Lipinski's Rule of Five, 3-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid has 2 hydrogen bond donor(s) and 7 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-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid?
The CAS number of 3-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid is 162252-44-0.
What is the molecular formula of 3-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid?
The molecular formula of 3-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid is C11H10N2O7.
What is the molecular weight of 3-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid?
The molecular weight of 3-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid is 282.05 g/mol.
Where can I buy 3-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid?
You can request a quote for 3-Acetoxy-4-(Acetylamino)-5-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-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetoxy-4-(Acetylamino)-5-Nitrobenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.