Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate
TL;DR: Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate (CAS 79893-20-2) 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 5-acetamido-2-methoxy-4-nitrobenzoate
Also Known As: EINECS 279-334-6, Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate, methyl 5-acetamido-2-methoxy-4-nitrobenzoate, 5-Acetylamino-2-methoxy-4-nitrobenzoic acid methyl ester, Benzoic acid,5-(acetylamino)-2-methoxy-4-nitro-, methyl ester
| Molecular Formula | C11H12N2O6 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 1.3484 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.06955 |
| Heavy Atoms | 19 |
| Complexity | 540.2321 |
Chemical Identifiers
| CAS Number | 79893-20-2 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C(=C1)C(=O)OC)OC)[N+](=O)[O-] |
Product Overview
Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate (CAS 79893-20-2), with molecular formula C11H12N2O6 and molecular weight 268.07 g/mol. IUPAC: methyl 5-acetamido-2-methoxy-4-nitrobenzoate.
Chemical Property Profile of Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate
Property Insights of Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate
The XLogP value of 1.3484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 5-(acetylamino)-2-methoxy-4-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 5-(acetylamino)-2-methoxy-4-nitrobenzoate?
The CAS number of Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate is 79893-20-2.
What is the molecular formula of Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate?
The molecular formula of Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate is C11H12N2O6.
What is the molecular weight of Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate?
The molecular weight of Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate is 268.07 g/mol.
Where can I buy Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate?
You can request a quote for Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(acetylamino)-2-methoxy-4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.