methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
TL;DR: methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 708223-27-2) is a chemical compound with molecular formula C23H29ClN4O5S3 and molecular weight 572.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-[({4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}carbonothioyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-[[4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 5-(N,N-diethylcarbamoyl)-2-[({4-[(4-chlorophenyl)sulfonyl]piperazinyl}t hioxomethyl)amino]-4-methylthiophene-3-carboxylate
| Molecular Formula | C23H29ClN4O5S3 |
|---|---|
| Molecular Weight | 572.10 g/mol |
| LogP | 3.68182 |
| Topological Polar Surface Area | 99.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 572.0989 |
| Heavy Atoms | 36 |
| Complexity | 1235.1855 |
Chemical Identifiers
| CAS Number | 708223-27-2 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)OC)C |
Product Overview
methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 708223-27-2), with molecular formula C23H29ClN4O5S3 and molecular weight 572.10 g/mol. IUPAC: methyl 2-[[4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Property Insights of methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
The XLogP value of 3.68182 indicates that methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.26 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The CAS number of methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is 708223-27-2.
What is the molecular formula of methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is C23H29ClN4O5S3.
What is the molecular weight of methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is 572.10 g/mol.
Where can I buy methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-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 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-((4-chlorophenyl)sulfonyl)piperazine-1-carbothioamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.