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Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate
TL;DR: Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate (CAS 52426-96-7) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-methyl-2-nitroanilino)-2-oxoacetate
Also Known As: ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate, BAS 01935680, ETHYL [(4-METHYL-2-NITROPHENYL)CARBAMOYL]FORMATE, ethyl 2-(4-methyl-2-nitroanilino)-2-oxoacetate, Ethyl 2-((4-methyl-2-nitrophenyl)amino)-2-oxoacetate
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.40482 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 498.20697 |
Chemical Identifiers
| CAS Number | 52426-96-7 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=C(C=C(C=C1)C)[N+](=O)[O-] |
Product Overview
Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate (CAS 52426-96-7), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: ethyl 2-(4-methyl-2-nitroanilino)-2-oxoacetate.
Chemical Property Profile of Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate
Property Insights of Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate
The XLogP value of 1.40482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate. Following Lipinski's Rule of Five, Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate has 1 hydrogen bond donor(s) and 5 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 Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate?
The CAS number of Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate is 52426-96-7.
What is the molecular formula of Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate?
The molecular formula of Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate is C11H12N2O5.
What is the molecular weight of Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate?
The molecular weight of Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate is 252.07 g/mol.
Where can I buy Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate?
You can request a quote for Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(4-methyl-2-nitrophenyl)amino](oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.