![diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate structure](/static/products/4337/433700-59-5.webp)
diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate (CAS 433700-59-5) is a chemical compound with molecular formula C21H21ClN2O5S2 and molecular weight 480.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate, (E)-diethyl 5-(3-(3-(4-chlorophenyl)acryloyl)thioureido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C21H21ClN2O5S2 |
|---|---|
| Molecular Weight | 480.06 g/mol |
| LogP | 4.58972 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.05804 |
| Heavy Atoms | 31 |
| Complexity | 1015.5226 |
Chemical Identifiers
| CAS Number | 433700-59-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl |
Product Overview
diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate (CAS 433700-59-5), with molecular formula C21H21ClN2O5S2 and molecular weight 480.06 g/mol. IUPAC: diethyl 5-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.58972 indicates that diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate has 2 hydrogen bond donor(s) and 7 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-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate is 433700-59-5.
What is the molecular formula of diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate is C21H21ClN2O5S2.
What is the molecular weight of diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate is 480.06 g/mol.
Where can I buy diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]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-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.