(Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: (Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 573697-58-2) is a chemical compound with molecular formula C22H18BrN3O4S2 and molecular weight 530.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 5-[[(Z)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: (Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate, 4-ethyl 2-methyl 5-({(Z)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)-3-methylthiophene-2,4-dicarboxylate, 4-O-ethyl 2-O-methyl 5-[[(Z)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C22H18BrN3O4S2 |
|---|---|
| Molecular Weight | 530.99 g/mol |
| LogP | 5.8824 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.9922 |
| Heavy Atoms | 32 |
| Complexity | 1240.2744 |
Chemical Identifiers
| CAS Number | 573697-58-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC)N/C=C(/C#N)\C2=NC(=CS2)C3=CC(=CC=C3)Br |
Product Overview
(Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 573697-58-2), with molecular formula C22H18BrN3O4S2 and molecular weight 530.99 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 5-[[(Z)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of (Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of (Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 5.8824 indicates that (Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)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)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, (Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of (Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate is 573697-58-2.
What is the molecular formula of (Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of (Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate is C22H18BrN3O4S2.
What is the molecular weight of (Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of (Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate is 530.99 g/mol.
Where can I buy (Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for (Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)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)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-ethyl 2-methyl 5-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.