![(E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate structure](/static/products/683/683250-10-4.png)
(E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate
TL;DR: (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate (CAS 683250-10-4) is a chemical compound with molecular formula C21H14N2O4S and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]benzoate
Also Known As: AB00685639-01, F1110-0020, methyl 4-[(1E)-2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoeth-1-en-1-yl]benzoate, (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate, methyl 4-[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]benzoate
| Molecular Formula | C21H14N2O4S |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 4.38958 |
| Topological Polar Surface Area | 81.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.0674 |
| Heavy Atoms | 28 |
| Complexity | 1110.1794 |
Chemical Identifiers
| CAS Number | 683250-10-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=C3)OCO4 |
Product Overview
(E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate (CAS 683250-10-4), with molecular formula C21H14N2O4S and molecular weight 390.07 g/mol. IUPAC: methyl 4-[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]benzoate.
Chemical Property Profile of (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate
Property Insights of (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate
The XLogP value of 4.38958 indicates that (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate has 0 hydrogen bond donor(s) and 7 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 (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate?
The CAS number of (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate is 683250-10-4.
What is the molecular formula of (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate?
The molecular formula of (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate is C21H14N2O4S.
What is the molecular weight of (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate?
The molecular weight of (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate is 390.07 g/mol.
Where can I buy (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate?
You can request a quote for (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-(2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-cyanovinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.