Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate
TL;DR: Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate (CAS 331962-87-9) is a chemical compound with molecular formula C16H14N2O6 and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate
Also Known As: BAS 00692491, Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate, methyl 2-(2-{3-nitroanilino}-2-oxoethoxy)benzoate, methyl 2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate, 2-[(3-Nitro-phenylcarbamoyl)-methoxy]-benzoic acid methyl ester
| Molecular Formula | C16H14N2O6 |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 2.3989 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.08517 |
| Heavy Atoms | 24 |
| Complexity | 774.6679 |
Chemical Identifiers
| CAS Number | 331962-87-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate (CAS 331962-87-9), with molecular formula C16H14N2O6 and molecular weight 330.09 g/mol. IUPAC: methyl 2-[2-(3-nitroanilino)-2-oxoethoxy]benzoate.
Chemical Property Profile of Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate
Property Insights of Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate
The XLogP value of 2.3989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate. Following Lipinski's Rule of Five, Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate 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 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate?
The CAS number of Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate is 331962-87-9.
What is the molecular formula of Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate?
The molecular formula of Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate is C16H14N2O6.
What is the molecular weight of Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate?
The molecular weight of Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate is 330.09 g/mol.
Where can I buy Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate?
You can request a quote for Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-((3-nitrophenyl)amino)-2-oxoethoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.