![[2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate structure](/static/products/1004/1004221-07-1.webp)
[2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate
TL;DR: [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate (CAS 1004221-07-1) is a chemical compound with molecular formula C18H15ClN2O3 and molecular weight 342.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate
Also Known As: {[2-(4-chlorophenyl)ethyl]carbamoyl}methyl 4-cyanobenzoate, [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate, 2-((4-chlorophenethyl)amino)-2-oxoethyl 4-cyanobenzoate, F6609-3907, 2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl 4-cyanobenzoate
| Molecular Formula | C18H15ClN2O3 |
|---|---|
| Molecular Weight | 342.08 g/mol |
| LogP | 2.72738 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.07712 |
| Heavy Atoms | 24 |
| Complexity | 749.3285 |
Chemical Identifiers
| CAS Number | 1004221-07-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CCNC(=O)COC(=O)C2=CC=C(C=C2)C#N)Cl |
Product Overview
[2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate (CAS 1004221-07-1), with molecular formula C18H15ClN2O3 and molecular weight 342.08 g/mol. IUPAC: [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate.
Chemical Property Profile of [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate
Property Insights of [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate
The XLogP value of 2.72738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate. Following Lipinski's Rule of Five, [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate has 1 hydrogen bond donor(s) and 4 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 [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate?
The CAS number of [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate is 1004221-07-1.
What is the molecular formula of [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate?
The molecular formula of [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate is C18H15ClN2O3.
What is the molecular weight of [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate?
The molecular weight of [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate is 342.08 g/mol.
Where can I buy [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate?
You can request a quote for [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 4-cyanobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.