![diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate structure](/static/products/7082/708219-74-3.webp)
diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate (CAS 708219-74-3) is a chemical compound with molecular formula C19H19ClF2N2O5S2 and molecular weight 492.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[3-chloro-4-(difluoromethoxy)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-(3-(3-chloro-4-(difluoromethoxy)phenyl)thioureido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[[3-chloro-4-(difluoromethoxy)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate, ethyl 2-[({[4-(difluoromethoxy)-3-chlorophenyl]amino}thioxomethyl)amino]-5-(et hoxycarbonyl)-4-methylthiophene-3-carboxylate
| Molecular Formula | C19H19ClF2N2O5S2 |
|---|---|
| Molecular Weight | 492.04 g/mol |
| LogP | 5.47362 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.03918 |
| Heavy Atoms | 31 |
| Complexity | 984.448 |
Chemical Identifiers
| CAS Number | 708219-74-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC(=C(C=C2)OC(F)F)Cl |
Product Overview
diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate (CAS 708219-74-3), with molecular formula C19H19ClF2N2O5S2 and molecular weight 492.04 g/mol. IUPAC: diethyl 5-[[3-chloro-4-(difluoromethoxy)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 5.47362 indicates that diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate has 2 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 diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate is 708219-74-3.
What is the molecular formula of diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate is C19H19ClF2N2O5S2.
What is the molecular weight of diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate is 492.04 g/mol.
Where can I buy diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-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-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-({[3-chloro-4-(difluoromethoxy)phenyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.