methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate
TL;DR: methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate (CAS 701933-23-5) is a chemical compound with molecular formula C23H23N3O5S3 and molecular weight 517.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate
Also Known As: methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate, methyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate, methyl 4-ethyl-5-methyl-2-[({4-[(phenylcarbonyl)sulfamoyl]phenyl}carbamothioyl)amino]thiophene-3-carboxylate, methyl 4-ethyl-5-methyl-2-{[({4-[(phenylcarbonylamino)sulfonyl]phenyl}amino)th ioxomethyl]amino}thiophene-3-carboxylate
| Molecular Formula | C23H23N3O5S3 |
|---|---|
| Molecular Weight | 517.08 g/mol |
| LogP | 4.33312 |
| Topological Polar Surface Area | 113.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.07996 |
| Heavy Atoms | 34 |
| Complexity | 1317.8855 |
Chemical Identifiers
| CAS Number | 701933-23-5 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3)C |
Product Overview
methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate (CAS 701933-23-5), with molecular formula C23H23N3O5S3 and molecular weight 517.08 g/mol. IUPAC: methyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate
Property Insights of methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate
The XLogP value of 4.33312 indicates that methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate has 3 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-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate?
The CAS number of methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate is 701933-23-5.
What is the molecular formula of methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate is C23H23N3O5S3.
What is the molecular weight of methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate is 517.08 g/mol.
Where can I buy methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-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-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-(4-(N-benzoylsulfamoyl)phenyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.