![dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate structure](/static/products/7178/717875-12-2.webp)
dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate
TL;DR: dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate (CAS 717875-12-2) is a chemical compound with molecular formula C22H24ClN3O4S and molecular weight 461.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate, 1,4-dimethyl 2-{[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino}benzene-1,4-dicarboxylate, dimethyl 2-(4-(5-chloro-2-methylphenyl)piperazine-1-carbothioamido)terephthalate, dimethyl 2-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate, dimethyl 2-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate
| Molecular Formula | C22H24ClN3O4S |
|---|---|
| Molecular Weight | 461.12 g/mol |
| LogP | 3.74062 |
| Topological Polar Surface Area | 71.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.1176 |
| Heavy Atoms | 31 |
| Complexity | 1006.24567 |
Chemical Identifiers
| CAS Number | 717875-12-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate (CAS 717875-12-2), with molecular formula C22H24ClN3O4S and molecular weight 461.12 g/mol. IUPAC: dimethyl 2-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate
Property Insights of dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate
The XLogP value of 3.74062 indicates that dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.11 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate. Following Lipinski's Rule of Five, dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate has 1 hydrogen bond donor(s) and 6 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 dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate?
The CAS number of dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate is 717875-12-2.
What is the molecular formula of dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate?
The molecular formula of dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate is C22H24ClN3O4S.
What is the molecular weight of dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate?
The molecular weight of dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate is 461.12 g/mol.
Where can I buy dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate?
You can request a quote for dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.