![methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate structure](/static/products/5164/516458-87-0.webp)
methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate
TL;DR: methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate (CAS 516458-87-0) is a chemical compound with molecular formula C21H24ClN3O2S and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate
Also Known As: methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate, methyl [4-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonothioyl}amino)phenyl]acetate, methyl 2-(4-(4-(5-chloro-2-methylphenyl)piperazine-1-carbothioamido)phenyl)acetate, methyl 2-[4-({[4-(5-chloro-2-methylphenyl)piperazinyl]thioxomethyl}amino)pheny l]acetate, methyl 2-[4-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate
| Molecular Formula | C21H24ClN3O2S |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 3.88292 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.12778 |
| Heavy Atoms | 28 |
| Complexity | 849.22925 |
Chemical Identifiers
| CAS Number | 516458-87-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)CC(=O)OC |
Product Overview
methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate (CAS 516458-87-0), with molecular formula C21H24ClN3O2S and molecular weight 417.13 g/mol. IUPAC: methyl 2-[4-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]phenyl]acetate.
Chemical Property Profile of methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate
Property Insights of methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate
The XLogP value of 3.88292 indicates that methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate 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 methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate?
The CAS number of methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate is 516458-87-0.
What is the molecular formula of methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate?
The molecular formula of methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate is C21H24ClN3O2S.
What is the molecular weight of methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate?
The molecular weight of methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate is 417.13 g/mol.
Where can I buy methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate?
You can request a quote for methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [4-({[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl}amino)phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.