![diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate structure](/static/products/7082/708237-45-0.webp)
diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate
TL;DR: diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate (CAS 708237-45-0) is a chemical compound with molecular formula C17H25N3O6S3 and molecular weight 463.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate
Also Known As: diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-(4-(methylsulfonyl)piperazine-1-carbothioamido)thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate, ethyl 5-(ethoxycarbonyl)-4-methyl-2-({[4-(methylsulfonyl)piperazinyl]thioxomet hyl}amino)thiophene-3-carboxylate
| Molecular Formula | C17H25N3O6S3 |
|---|---|
| Molecular Weight | 463.09 g/mol |
| LogP | 1.68392 |
| Topological Polar Surface Area | 105.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.09055 |
| Heavy Atoms | 29 |
| Complexity | 888.46985 |
Chemical Identifiers
| CAS Number | 708237-45-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)S(=O)(=O)C |
Product Overview
diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate (CAS 708237-45-0), with molecular formula C17H25N3O6S3 and molecular weight 463.09 g/mol. IUPAC: diethyl 3-methyl-5-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate
Property Insights of diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate
The XLogP value of 1.68392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate. The TPSA of 105.25 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}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 diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate?
The CAS number of diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate is 708237-45-0.
What is the molecular formula of diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate?
The molecular formula of diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate is C17H25N3O6S3.
What is the molecular weight of diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate?
The molecular weight of diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate is 463.09 g/mol.
Where can I buy diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate?
You can request a quote for diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}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 diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 3-methyl-5-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.