Methyl 4-acetamido-2-methoxy-5-nitrobenzoate
TL;DR: Methyl 4-acetamido-2-methoxy-5-nitrobenzoate (CAS 4093-41-8) is a chemical compound with molecular formula C11H12N2O6 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-acetamido-2-methoxy-5-nitrobenzoate
Also Known As: methyl 4-acetamido-2-methoxy-5-nitrobenzoate, Methyl 4-(acetylamino)-2-methoxy-5-nitrobenzoate, Methyl 4-(acetylamino)-5-nitro-o-anisate, methyl-4-acetamido-2-methoxy-5-nitrobenzoat, Methyl 4-(acetylamino)-5-bromo-o-anisate
| Molecular Formula | C11H12N2O6 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.06955 |
| Heavy Atoms | 19 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 4093-41-8 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)[N+](=O)[O-] |
| InChIKey | AGSSDWHUSPSVFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-acetamido-2-methoxy-5-nitrobenzoate (CAS 4093-41-8), with molecular formula C11H12N2O6 and molecular weight 268.07 g/mol. IUPAC: methyl 4-acetamido-2-methoxy-5-nitrobenzoate.
Chemical Property Profile of Methyl 4-acetamido-2-methoxy-5-nitrobenzoate
Property Insights of Methyl 4-acetamido-2-methoxy-5-nitrobenzoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-acetamido-2-methoxy-5-nitrobenzoate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-acetamido-2-methoxy-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 4-acetamido-2-methoxy-5-nitrobenzoate has 1 hydrogen bond donor(s) and 6 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 Methyl 4-acetamido-2-methoxy-5-nitrobenzoate?
The CAS number of Methyl 4-acetamido-2-methoxy-5-nitrobenzoate is 4093-41-8.
What is the molecular formula of Methyl 4-acetamido-2-methoxy-5-nitrobenzoate?
The molecular formula of Methyl 4-acetamido-2-methoxy-5-nitrobenzoate is C11H12N2O6.
What is the molecular weight of Methyl 4-acetamido-2-methoxy-5-nitrobenzoate?
The molecular weight of Methyl 4-acetamido-2-methoxy-5-nitrobenzoate is 268.07 g/mol.
Where can I buy Methyl 4-acetamido-2-methoxy-5-nitrobenzoate?
You can request a quote for Methyl 4-acetamido-2-methoxy-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-acetamido-2-methoxy-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-acetamido-2-methoxy-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.