Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate
TL;DR: Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate (CAS 698985-06-7) 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-[(2-methoxy-2-oxoethyl)amino]-3-nitrobenzoate
Also Known As: Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate, methyl 4-[(2-methoxy-2-oxoethyl)amino]-3-nitrobenzoate, Benzoic acid, 4-[(2-methoxy-2-oxoethyl)amino]-3-nitro-, methyl ester, Methyl 4-(2-Methoxy-2-oxoethyl)amino-3-nitrobenzoate, Methyl4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate
| Molecular Formula | C11H12N2O6 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 0.9663 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.06955 |
| Heavy Atoms | 19 |
| Complexity | 513.9069 |
Chemical Identifiers
| CAS Number | 698985-06-7 |
|---|---|
| SMILES | COC(=O)CNC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-] |
Product Overview
Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate (CAS 698985-06-7), with molecular formula C11H12N2O6 and molecular weight 268.07 g/mol. IUPAC: methyl 4-[(2-methoxy-2-oxoethyl)amino]-3-nitrobenzoate.
Chemical Property Profile of Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate
Property Insights of Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate
The XLogP value of 0.9663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate has 1 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 Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate?
The CAS number of Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate is 698985-06-7.
What is the molecular formula of Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate?
The molecular formula of Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate is C11H12N2O6.
What is the molecular weight of Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate?
The molecular weight of Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate is 268.07 g/mol.
Where can I buy Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate?
You can request a quote for Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-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-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((2-methoxy-2-oxoethyl)amino)-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.