![ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate structure](/static/products/3389/338966-45-3.webp)
ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate
TL;DR: ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate (CAS 338966-45-3) is a chemical compound with molecular formula C18H22ClN5O2S and molecular weight 407.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-amino-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyanoprop-2-enethioyl]amino]acetate
Also Known As: ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate, ethyl 2-[[3-amino-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyanoprop-2-enethioyl]amino]acetate
| Molecular Formula | C18H22ClN5O2S |
|---|---|
| Molecular Weight | 407.12 g/mol |
| LogP | 1.63598 |
| Topological Polar Surface Area | 94.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.1183 |
| Heavy Atoms | 27 |
| Complexity | 769.2606 |
Chemical Identifiers
| CAS Number | 338966-45-3 |
|---|---|
| SMILES | CCOC(=O)CNC(=S)C(=C(N)N1CCN(CC1)C2=CC(=CC=C2)Cl)C#N |
Product Overview
ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate (CAS 338966-45-3), with molecular formula C18H22ClN5O2S and molecular weight 407.12 g/mol. IUPAC: ethyl 2-[[3-amino-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyanoprop-2-enethioyl]amino]acetate.
Chemical Property Profile of ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate
Property Insights of ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate
The XLogP value of 1.63598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate. The TPSA of 94.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate. Following Lipinski's Rule of Five, ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate has 2 hydrogen bond donor(s) and 7 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 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate?
The CAS number of ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate is 338966-45-3.
What is the molecular formula of ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate?
The molecular formula of ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate is C18H22ClN5O2S.
What is the molecular weight of ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate?
The molecular weight of ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate is 407.12 g/mol.
Where can I buy ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate?
You can request a quote for ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({3-amino-3-[4-(3-chlorophenyl)piperazino]-2-cyano-2-propenethioyl}amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.