![Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate structure](/static/products/7019/701966-34-9.webp)
Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate
TL;DR: Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate (CAS 701966-34-9) is a chemical compound with molecular formula C23H24N4O2S2 and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate
Also Known As: Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate, methyl 5-benzyl-2-(4-(pyridin-2-yl)piperazine-1-carbothioamido)thiophene-3-carboxylate, methyl 5-benzyl-2-{[(4-(2-pyridyl)piperazinyl)thioxomethyl]amino}thiophene-3-c arboxylate, methyl 5-benzyl-2-({[4-(pyridin-2-yl)piperazin-1-yl]carbonothioyl}amino)thiophene-3-carboxylate
| Molecular Formula | C23H24N4O2S2 |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 4.0395 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.13406 |
| Heavy Atoms | 31 |
| Complexity | 1032.2448 |
Chemical Identifiers
| CAS Number | 701966-34-9 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC=N4 |
Product Overview
Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate (CAS 701966-34-9), with molecular formula C23H24N4O2S2 and molecular weight 452.13 g/mol. IUPAC: methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate
Property Insights of Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate
The XLogP value of 4.0395 indicates that Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate 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 Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate?
The CAS number of Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate is 701966-34-9.
What is the molecular formula of Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate?
The molecular formula of Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate is C23H24N4O2S2.
What is the molecular weight of Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate?
The molecular weight of Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate is 452.13 g/mol.
Where can I buy Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate?
You can request a quote for Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-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 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.