![methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate structure](/static/products/7019/701928-08-7.webp)
methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate
TL;DR: methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate (CAS 701928-08-7) is a chemical compound with molecular formula C20H23Cl2N3O2S2 and molecular weight 471.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
Also Known As: methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate, methyl 2-({[4-(3,4-dichlorophenyl)piperazinyl]thioxomethyl}amino)-4-ethyl-5-me thylthiophene-3-carboxylate, methyl 2-(4-(3,4-dichlorophenyl)piperazine-1-carbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate, methyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
| Molecular Formula | C20H23Cl2N3O2S2 |
|---|---|
| Molecular Weight | 471.06 g/mol |
| LogP | 5.23132 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.06088 |
| Heavy Atoms | 29 |
| Complexity | 924.69037 |
Chemical Identifiers
| CAS Number | 701928-08-7 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)C |
Product Overview
methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate (CAS 701928-08-7), with molecular formula C20H23Cl2N3O2S2 and molecular weight 471.06 g/mol. IUPAC: methyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate
Property Insights of methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate
The XLogP value of 5.23132 indicates that methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate 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 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate?
The CAS number of methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate is 701928-08-7.
What is the molecular formula of methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate is C20H23Cl2N3O2S2.
What is the molecular weight of methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate is 471.06 g/mol.
Where can I buy methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.