![methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate structure](/static/products/7067/706770-57-2.webp)
methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate
TL;DR: methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate (CAS 706770-57-2) is a chemical compound with molecular formula C22H27N3O4S2 and molecular weight 461.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
Also Known As: methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate, methyl 2-({[4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl]thioxomethyl }amino)-4-ethyl-5-methylthiophene-3-carboxylate, methyl 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)-4-ethyl-5-methylthiophene-3-carboxylate, methyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
| Molecular Formula | C22H27N3O4S2 |
|---|---|
| Molecular Weight | 461.14 g/mol |
| LogP | 3.64882 |
| Topological Polar Surface Area | 63.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.1443 |
| Heavy Atoms | 31 |
| Complexity | 983.3759 |
Chemical Identifiers
| CAS Number | 706770-57-2 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C |
Product Overview
methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate (CAS 706770-57-2), with molecular formula C22H27N3O4S2 and molecular weight 461.14 g/mol. IUPAC: methyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate
Property Insights of methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate
The XLogP value of 3.64882 indicates that methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.27 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate has 1 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 methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate?
The CAS number of methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate is 706770-57-2.
What is the molecular formula of methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate is C22H27N3O4S2.
What is the molecular weight of methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate is 461.14 g/mol.
Where can I buy methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)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-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)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.