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Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate
TL;DR: Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate (CAS 69065-92-5) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,3-dimethylanilino)-2-oxoacetate
Also Known As: ETHYL [(2,3-DIMETHYLPHENYL)CARBAMOYL]FORMATE, ethyl [(2,3-dimethylphenyl)amino](oxo)acetate, Ethyl (2,3-dimethylanilino)(oxo)acetate, ethyl 2-(2,3-dimethylanilino)-2-oxoacetate, ethyl 2-(2,3-dimethylanilino)-2-oxo-acetate
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 69065-92-5 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=CC=CC(=C1C)C |
| InChIKey | LIWCLPVEXCUDCZ-UHFFFAOYSA-N |
Product Overview
Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate (CAS 69065-92-5), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: ethyl 2-(2,3-dimethylanilino)-2-oxoacetate.
Chemical Property Profile of Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate
Property Insights of Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate has 1 hydrogen bond donor(s) and 3 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 [(2,3-dimethylphenyl)amino](oxo)acetate?
The CAS number of Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate is 69065-92-5.
What is the molecular formula of Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate?
The molecular formula of Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate is C12H15NO3.
What is the molecular weight of Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate?
The molecular weight of Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate is 221.11 g/mol.
Where can I buy Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate?
You can request a quote for Ethyl [(2,3-dimethylphenyl)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 [(2,3-dimethylphenyl)amino](oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.