![Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate structure](/static/products/783/78360-91-5.png)
Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate
TL;DR: Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate (CAS 78360-91-5) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-ethylanilino)-3-oxopropanoate
Also Known As: N-(2-Ethyl-phenyl)-malonamic acid ethyl ester, ethyl 3-(2-ethylanilino)-3-oxopropanoate, ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate, BB 0217190, N-(2-Ethyl-phenyl)-malonamic acid ethyl ester
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.1407 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 401.40598 |
Chemical Identifiers
| CAS Number | 78360-91-5 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CC(=O)OCC |
Product Overview
Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate (CAS 78360-91-5), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: ethyl 3-(2-ethylanilino)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate
Property Insights of Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate
The XLogP value of 2.1407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate 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 3-[(2-ethylphenyl)amino]-3-oxopropanoate?
The CAS number of Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate is 78360-91-5.
What is the molecular formula of Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate?
The molecular formula of Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate is C13H17NO3.
What is the molecular weight of Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate?
The molecular weight of Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate is 235.12 g/mol.
Where can I buy Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate?
You can request a quote for Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(2-ethylphenyl)amino]-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.