![Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate structure](/static/products/7082/708228-73-3.webp)
Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate
TL;DR: Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate (CAS 708228-73-3) is a chemical compound with molecular formula C19H22N4O4S2 and molecular weight 434.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate
Also Known As: Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate, dimethyl 3-methyl-5-({[4-(pyridin-2-yl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate, dimethyl 3-methyl-5-(4-(pyridin-2-yl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate, methyl 5-(methoxycarbonyl)-4-methyl-2-{[(4-(2-pyridyl)piperazinyl)thioxomethyl ]amino}thiophene-3-carboxylate
| Molecular Formula | C19H22N4O4S2 |
|---|---|
| Molecular Weight | 434.11 g/mol |
| LogP | 2.54372 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.10825 |
| Heavy Atoms | 29 |
| Complexity | 908.433 |
Chemical Identifiers
| CAS Number | 708228-73-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=N3)C(=O)OC |
Product Overview
Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate (CAS 708228-73-3), with molecular formula C19H22N4O4S2 and molecular weight 434.11 g/mol. IUPAC: dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate
Property Insights of Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate
The XLogP value of 2.54372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 8 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 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate?
The CAS number of Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate is 708228-73-3.
What is the molecular formula of Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate?
The molecular formula of Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate is C19H22N4O4S2.
What is the molecular weight of Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate?
The molecular weight of Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate is 434.11 g/mol.
Where can I buy Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate?
You can request a quote for Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.