![diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate structure](/static/products/4337/433700-10-8.webp)
diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate (CAS 433700-10-8) is a chemical compound with molecular formula C21H23ClN2O6S2 and molecular weight 498.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-(3-(3-chloro-4-ethoxybenzoyl)thioureido)-3-methylthiophene-2,4-dicarboxylate, Diethyl 5-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylate, diethyl 5-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C21H23ClN2O6S2 |
|---|---|
| Molecular Weight | 498.07 g/mol |
| LogP | 4.58882 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.0686 |
| Heavy Atoms | 32 |
| Complexity | 1037.5375 |
Chemical Identifiers
| CAS Number | 433700-10-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Cl |
Product Overview
diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate (CAS 433700-10-8), with molecular formula C21H23ClN2O6S2 and molecular weight 498.07 g/mol. IUPAC: diethyl 5-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.58882 indicates that diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate has 2 hydrogen bond donor(s) and 8 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 diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate is 433700-10-8.
What is the molecular formula of diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate is C21H23ClN2O6S2.
What is the molecular weight of diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate is 498.07 g/mol.
Where can I buy diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]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-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.