diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate
TL;DR: diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate (CAS 701925-52-2) is a chemical compound with molecular formula C27H31N3O6S3 and molecular weight 589.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate
Also Known As: diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate, diethyl 3-methyl-5-[({4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl}carbamothioyl)amino]thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate, ethyl 5-(ethoxycarbonyl)-4-methyl-2-({thioxo[(4-{[(2,4,6-trimethylphenyl)amino ]sulfonyl}phenyl)amino]methyl}amino)thiophene-3-carboxylate
| Molecular Formula | C27H31N3O6S3 |
|---|---|
| Molecular Weight | 589.14 g/mol |
| LogP | 5.94488 |
| Topological Polar Surface Area | 122.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 589.1375 |
| Heavy Atoms | 39 |
| Complexity | 1489.1998 |
Chemical Identifiers
| CAS Number | 701925-52-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3C)C)C |
Product Overview
diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate (CAS 701925-52-2), with molecular formula C27H31N3O6S3 and molecular weight 589.14 g/mol. IUPAC: diethyl 3-methyl-5-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate
Property Insights of diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 5.94488 indicates that diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.83 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate is 701925-52-2.
What is the molecular formula of diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate is C27H31N3O6S3.
What is the molecular weight of diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate is 589.14 g/mol.
Where can I buy diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-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 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-(3-(4-(N-mesitylsulfamoyl)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.