(E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 840513-02-2) is a chemical compound with molecular formula C21H19N3O4S3 and molecular weight 473.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C21H19N3O4S3 |
|---|---|
| Molecular Weight | 473.05 g/mol |
| LogP | 5.5715 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.05377 |
| Heavy Atoms | 31 |
| Complexity | 1153.396 |
Chemical Identifiers
| CAS Number | 840513-02-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=CS3 |
Product Overview
(E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 840513-02-2), with molecular formula C21H19N3O4S3 and molecular weight 473.05 g/mol. IUPAC: diethyl 5-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 5.5715 indicates that (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is 840513-02-2.
What is the molecular formula of (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is C21H19N3O4S3.
What is the molecular weight of (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is 473.05 g/mol.
Where can I buy (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)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 (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-diethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.