![Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate structure](/static/products/1025/1025148-36-0.webp)
Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate
TL;DR: Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate (CAS 1025148-36-0) is a chemical compound with molecular formula C17H20ClN3O2 and molecular weight 333.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-cyanoprop-2-enoate
Also Known As: ETHYL 3-(4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)-2-CYANOPROP-2-ENOATE, Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate, ethyl 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-cyanoprop-2-enoate
| Molecular Formula | C17H20ClN3O2 |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | 2.741 |
| Topological Polar Surface Area | 56.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.1244 |
| Heavy Atoms | 23 |
| Complexity | 643.7288 |
Chemical Identifiers
| CAS Number | 1025148-36-0 |
|---|---|
| SMILES | CCOC(=O)C(=CN1CCN(CC1)C2=C(C=CC(=C2)Cl)C)C#N |
Product Overview
Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate (CAS 1025148-36-0), with molecular formula C17H20ClN3O2 and molecular weight 333.12 g/mol. IUPAC: ethyl 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate
Property Insights of Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate
The XLogP value of 2.741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate. With a topological polar surface area (TPSA) of 56.57 Ų, Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate has 0 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 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate?
The CAS number of Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate is 1025148-36-0.
What is the molecular formula of Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate?
The molecular formula of Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate is C17H20ClN3O2.
What is the molecular weight of Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate?
The molecular weight of Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate is 333.12 g/mol.
Where can I buy Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate?
You can request a quote for Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-cyano-prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.