![methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate structure](/static/products/7019/701969-22-4.webp)
methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate
TL;DR: methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate (CAS 701969-22-4) is a chemical compound with molecular formula C20H25N3O4S3 and molecular weight 467.10 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-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate
Also Known As: methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate, methyl 4-ethyl-5-methyl-2-(3-(4-(pyrrolidin-1-ylsulfonyl)phenyl)thioureido)thiophene-3-carboxylate, methyl 4-ethyl-5-methyl-2-[({[4-(pyrrolidinylsulfonyl)phenyl]amino}thioxomethy l)amino]thiophene-3-carboxylate, methyl 4-ethyl-5-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate
| Molecular Formula | C20H25N3O4S3 |
|---|---|
| Molecular Weight | 467.10 g/mol |
| LogP | 3.99892 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.1007 |
| Heavy Atoms | 30 |
| Complexity | 1039.9941 |
Chemical Identifiers
| CAS Number | 701969-22-4 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C |
Product Overview
methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate (CAS 701969-22-4), with molecular formula C20H25N3O4S3 and molecular weight 467.10 g/mol. IUPAC: methyl 4-ethyl-5-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate
Property Insights of methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate
The XLogP value of 3.99892 indicates that methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate has 2 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-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate?
The CAS number of methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate is 701969-22-4.
What is the molecular formula of methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate?
The molecular formula of methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate is C20H25N3O4S3.
What is the molecular weight of methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate?
The molecular weight of methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate is 467.10 g/mol.
Where can I buy methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate?
You can request a quote for methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-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 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-ethyl-5-methyl-2-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.