(E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate
TL;DR: (E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate (CAS 608490-69-3) is a chemical compound with molecular formula C23H19N3O3S and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-2-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]benzoate
Also Known As: (E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate, methyl 4-[(E)-2-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]benzoate, methyl 4-{(E)-2-[5-(acetylamino)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}benzoate
| Molecular Formula | C23H19N3O3S |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 4.9277 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.11472 |
| Heavy Atoms | 30 |
| Complexity | 1153.8992 |
Chemical Identifiers
| CAS Number | 608490-69-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(SC(=N2)/C(=C/C3=CC=C(C=C3)C(=O)OC)/C#N)NC(=O)C |
Product Overview
(E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate (CAS 608490-69-3), with molecular formula C23H19N3O3S and molecular weight 417.11 g/mol. IUPAC: methyl 4-[(E)-2-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]benzoate.
Chemical Property Profile of (E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate
Property Insights of (E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate
The XLogP value of 4.9277 indicates that (E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate has 1 hydrogen bond donor(s) and 6 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-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate?
The CAS number of (E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate is 608490-69-3.
What is the molecular formula of (E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate?
The molecular formula of (E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate is C23H19N3O3S.
What is the molecular weight of (E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate?
The molecular weight of (E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate is 417.11 g/mol.
Where can I buy (E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate?
You can request a quote for (E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)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-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-(2-(5-acetamido-4-(p-tolyl)thiazol-2-yl)-2-cyanovinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.