![methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate structure](/static/products/7012/701274-47-7.webp)
methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate
TL;DR: methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate (CAS 701274-47-7) is a chemical compound with molecular formula C15H23N3O4S3 and molecular weight 405.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-ethyl-5-methyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate
Also Known As: methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate, methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)thiophene-3-carboxylate, methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)piperazinyl]thioxomethyl}amino) thiophene-3-carboxylate, methyl 4-ethyl-5-methyl-2-(4-(methylsulfonyl)piperazine-1-carbothioamido)thiophene-3-carboxylate, methyl 4-ethyl-5-methyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate
| Molecular Formula | C15H23N3O4S3 |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 1.67952 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.08508 |
| Heavy Atoms | 25 |
| Complexity | 765.2297 |
Chemical Identifiers
| CAS Number | 701274-47-7 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C)C |
Product Overview
methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate (CAS 701274-47-7), with molecular formula C15H23N3O4S3 and molecular weight 405.09 g/mol. IUPAC: methyl 4-ethyl-5-methyl-2-[(4-methylsulfonylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate
Property Insights of methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate
The XLogP value of 1.67952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate 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 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate?
The CAS number of methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate is 701274-47-7.
What is the molecular formula of methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate?
The molecular formula of methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate is C15H23N3O4S3.
What is the molecular weight of methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate?
The molecular weight of methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate is 405.09 g/mol.
Where can I buy methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate?
You can request a quote for methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-ethyl-5-methyl-2-({[4-(methylsulfonyl)-1-piperazinyl]carbonothioyl}amino)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.