Ethyl (2-ethylanilino)(oxo)acetate
TL;DR: Ethyl (2-ethylanilino)(oxo)acetate (CAS 140391-41-9) 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-ethylanilino)-2-oxoacetate
Also Known As: Ethyl (2-ethylanilino)(oxo)acetate, ethyl [(2-ethylphenyl)amino](oxo)acetate, ethyl 2-(2-ethylanilino)-2-oxoacetate, ETHYL [(2-ETHYLPHENYL)CARBAMOYL]FORMATE, Ethyl(2-ethylanilino)(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 | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 140391-41-9 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)C(=O)OCC |
| InChIKey | YZIPUQIUGPKDOM-UHFFFAOYSA-N |
Product Overview
Ethyl (2-ethylanilino)(oxo)acetate (CAS 140391-41-9), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: ethyl 2-(2-ethylanilino)-2-oxoacetate.
Chemical Property Profile of Ethyl (2-ethylanilino)(oxo)acetate
Property Insights of Ethyl (2-ethylanilino)(oxo)acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2-ethylanilino)(oxo)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl (2-ethylanilino)(oxo)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2-ethylanilino)(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-ethylanilino)(oxo)acetate?
The CAS number of Ethyl (2-ethylanilino)(oxo)acetate is 140391-41-9.
What is the molecular formula of Ethyl (2-ethylanilino)(oxo)acetate?
The molecular formula of Ethyl (2-ethylanilino)(oxo)acetate is C12H15NO3.
What is the molecular weight of Ethyl (2-ethylanilino)(oxo)acetate?
The molecular weight of Ethyl (2-ethylanilino)(oxo)acetate is 221.11 g/mol.
Where can I buy Ethyl (2-ethylanilino)(oxo)acetate?
You can request a quote for Ethyl (2-ethylanilino)(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-ethylanilino)(oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2-ethylanilino)(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.