(Z)-2-benzyl 4-ethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: (Z)-2-benzyl 4-ethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 578699-90-8) is a chemical compound with molecular formula C26H21N3O4S3 and molecular weight 535.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-benzyl 4-O-ethyl 5-[[(Z)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: (Z)-2-benzyl 4-ethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate, 2-benzyl 4-ethyl 5-({(Z)-2-cyano-2-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methylthiophene-2,4-dicarboxylate, 2-O-benzyl 4-O-ethyl 5-[[(Z)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C26H21N3O4S3 |
|---|---|
| Molecular Weight | 535.07 g/mol |
| LogP | 6.7518 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 535.0694 |
| Heavy Atoms | 36 |
| Complexity | 1430.917 |
Chemical Identifiers
| CAS Number | 578699-90-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC2=CC=CC=C2)N/C=C(/C#N)\C3=NC(=CS3)C4=CC=CS4 |
Product Overview
(Z)-2-benzyl 4-ethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 578699-90-8), with molecular formula C26H21N3O4S3 and molecular weight 535.07 g/mol. IUPAC: 2-O-benzyl 4-O-ethyl 5-[[(Z)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of (Z)-2-benzyl 4-ethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of (Z)-2-benzyl 4-ethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 6.7518 indicates that (Z)-2-benzyl 4-ethyl 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 (Z)-2-benzyl 4-ethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, (Z)-2-benzyl 4-ethyl 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 (Z)-2-benzyl 4-ethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of (Z)-2-benzyl 4-ethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is 578699-90-8.
What is the molecular formula of (Z)-2-benzyl 4-ethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of (Z)-2-benzyl 4-ethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is C26H21N3O4S3.
What is the molecular weight of (Z)-2-benzyl 4-ethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of (Z)-2-benzyl 4-ethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is 535.07 g/mol.
Where can I buy (Z)-2-benzyl 4-ethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for (Z)-2-benzyl 4-ethyl 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 (Z)-2-benzyl 4-ethyl 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 (Z)-2-benzyl 4-ethyl 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.