![[2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate structure](/static/products/100/1002543-74-9.png)
[2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate
TL;DR: [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate (CAS 1002543-74-9) is a chemical compound with molecular formula C17H13ClN2O3 and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate
Also Known As: 2-((3-chlorobenzyl)amino)-2-oxoethyl 3-cyanobenzoate, [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate, 2-[(3-chlorobenzyl)amino]-2-oxoethyl 3-cyanobenzoate, {[(3-CHLOROPHENYL)METHYL]CARBAMOYL}METHYL 3-CYANOBENZOATE, F6609-4052
| Molecular Formula | C17H13ClN2O3 |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 2.68488 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.06146 |
| Heavy Atoms | 23 |
| Complexity | 768.42896 |
Chemical Identifiers
| CAS Number | 1002543-74-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CNC(=O)COC(=O)C2=CC=CC(=C2)C#N |
Product Overview
[2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate (CAS 1002543-74-9), with molecular formula C17H13ClN2O3 and molecular weight 328.06 g/mol. IUPAC: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate.
Chemical Property Profile of [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate
Property Insights of [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate
The XLogP value of 2.68488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate. Following Lipinski's Rule of Five, [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-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-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate?
The CAS number of [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate is 1002543-74-9.
What is the molecular formula of [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate?
The molecular formula of [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate is C17H13ClN2O3.
What is the molecular weight of [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate?
The molecular weight of [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate is 328.06 g/mol.
Where can I buy [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate?
You can request a quote for [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(3-Chlorophenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.