![Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate structure](/static/products/895/895352-61-1.png)
Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate
TL;DR: Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate (CAS 895352-61-1) is a chemical compound with molecular formula C16H20N4O3 and molecular weight 316.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(2-cyanoanilino)-2-oxoethyl]piperazine-1-carboxylate
Also Known As: F6860-6415, Ethyl 4-[(2-cyanophenyl)carbamoylmethyl]piperazine-1-carboxylate, ethyl 4-[2-(2-cyanoanilino)-2-oxoethyl]piperazine-1-carboxylate, ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate
| Molecular Formula | C16H20N4O3 |
|---|---|
| Molecular Weight | 316.15 g/mol |
| LogP | 1.27088 |
| Topological Polar Surface Area | 85.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.15353 |
| Heavy Atoms | 23 |
| Complexity | 603.5881 |
Chemical Identifiers
| CAS Number | 895352-61-1 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC=CC=C2C#N |
Product Overview
Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate (CAS 895352-61-1), with molecular formula C16H20N4O3 and molecular weight 316.15 g/mol. IUPAC: ethyl 4-[2-(2-cyanoanilino)-2-oxoethyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate
Property Insights of Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate
The XLogP value of 1.27088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate. The TPSA of 85.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate has 1 hydrogen bond donor(s) and 5 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 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate?
The CAS number of Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate is 895352-61-1.
What is the molecular formula of Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate?
The molecular formula of Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate is C16H20N4O3.
What is the molecular weight of Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate?
The molecular weight of Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate is 316.15 g/mol.
Where can I buy Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate?
You can request a quote for Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(2-cyanophenyl)carbamoyl]methyl}piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.