![(Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate structure](/static/products/892/892624-27-0.png)
(Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate
TL;DR: (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate (CAS 892624-27-0) is a chemical compound with molecular formula C22H17N3O5S2 and molecular weight 467.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-acetyl-2-[[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate, methyl 5-acetyl-2-({(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)-4-methylthiophene-3-carboxylate, methyl 5-acetyl-2-[[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-4-methylthiophene-3-carboxylate
| Molecular Formula | C22H17N3O5S2 |
|---|---|
| Molecular Weight | 467.06 g/mol |
| LogP | 4.8745 |
| Topological Polar Surface Area | 110.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.06097 |
| Heavy Atoms | 32 |
| Complexity | 1299.3684 |
Chemical Identifiers
| CAS Number | 892624-27-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=C3)OCO4)C(=O)C |
Product Overview
(Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate (CAS 892624-27-0), with molecular formula C22H17N3O5S2 and molecular weight 467.06 g/mol. IUPAC: methyl 5-acetyl-2-[[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate
Property Insights of (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate
The XLogP value of 4.8745 indicates that (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 10 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 (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate?
The CAS number of (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate is 892624-27-0.
What is the molecular formula of (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate?
The molecular formula of (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate is C22H17N3O5S2.
What is the molecular weight of (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate?
The molecular weight of (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate is 467.06 g/mol.
Where can I buy (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate?
You can request a quote for (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 5-acetyl-2-((2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)amino)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.