![Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate structure](/static/products/7019/701941-64-2.webp)
Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate
TL;DR: Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate (CAS 701941-64-2) 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.
methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate
Also Known As: Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate, methyl 4,5-dimethyl-2-(4-(4-nitrophenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate, methyl 4,5-dimethyl-2-({[4-(4-nitrophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-3-carboxylate, methyl 4,5-dimethyl-2-({[4-(4-nitrophenyl)piperazinyl]thioxomethyl}amino)thiop hene-3-carboxylate
| Molecular Formula | C19H22N4O4S2 |
|---|---|
| Molecular Weight | 434.11 g/mol |
| LogP | 3.57874 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.10825 |
| Heavy Atoms | 29 |
| Complexity | 934.4309 |
Chemical Identifiers
| CAS Number | 701941-64-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C |
Product Overview
Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate (CAS 701941-64-2), with molecular formula C19H22N4O4S2 and molecular weight 434.11 g/mol. IUPAC: methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate
Property Insights of Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate
The XLogP value of 3.57874 indicates that Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-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 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate?
The CAS number of Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate is 701941-64-2.
What is the molecular formula of Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate?
The molecular formula of Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate is C19H22N4O4S2.
What is the molecular weight of Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate?
The molecular weight of Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate is 434.11 g/mol.
Where can I buy Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate?
You can request a quote for Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-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 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.