![methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate structure](/static/products/7019/701950-04-1.webp)
methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
TL;DR: methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 701950-04-1) is a chemical compound with molecular formula C20H22ClF2N3O4S2 and molecular weight 505.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-chloro-4-(difluoromethoxy)phenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-(3-(3-chloro-4-(difluoromethoxy)phenyl)thioureido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-[[3-chloro-4-(difluoromethoxy)phenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 5-(N,N-diethylcarbamoyl)-2-[({[4-(difluoromethoxy)-3-chlorophenyl]amino }thioxomethyl)amino]-4-methylthiophene-3-carboxylate
| Molecular Formula | C20H22ClF2N3O4S2 |
|---|---|
| Molecular Weight | 505.07 g/mol |
| LogP | 5.38882 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.07083 |
| Heavy Atoms | 32 |
| Complexity | 1012.9714 |
Chemical Identifiers
| CAS Number | 701950-04-1 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC(=C(C=C2)OC(F)F)Cl)C(=O)OC)C |
Product Overview
methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 701950-04-1), with molecular formula C20H22ClF2N3O4S2 and molecular weight 505.07 g/mol. IUPAC: methyl 2-[[3-chloro-4-(difluoromethoxy)phenyl]carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Property Insights of methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
The XLogP value of 5.38882 indicates that methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 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-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The CAS number of methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is 701950-04-1.
What is the molecular formula of methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is C20H22ClF2N3O4S2.
What is the molecular weight of methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is 505.07 g/mol.
Where can I buy methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-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-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.