![(Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate structure](/static/products/896/896803-08-0.png)
(Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: (Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 896803-08-0) is a chemical compound with molecular formula C22H17N3O6S2 and molecular weight 483.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: (Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-({(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-[[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C22H17N3O6S2 |
|---|---|
| Molecular Weight | 483.06 g/mol |
| LogP | 4.4585 |
| Topological Polar Surface Area | 119.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.05588 |
| Heavy Atoms | 33 |
| Complexity | 1318.1207 |
Chemical Identifiers
| CAS Number | 896803-08-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)C(=O)OC |
Product Overview
(Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 896803-08-0), with molecular formula C22H17N3O6S2 and molecular weight 483.06 g/mol. IUPAC: dimethyl 5-[[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of (Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of (Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.4585 indicates that (Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)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 119.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, (Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of (Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate is 896803-08-0.
What is the molecular formula of (Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of (Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate is C22H17N3O6S2.
What is the molecular weight of (Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of (Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate is 483.06 g/mol.
Where can I buy (Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for (Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)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)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-dimethyl 5-((2-(4-(benzo[d][1,3]dioxol-5-yl)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.