![Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate structure](/static/products/846/84645-53-4.png)
Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate
TL;DR: Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate (CAS 84645-53-4) is a chemical compound with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate
Also Known As: ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate, ethyl 2-dicyanomethylene-3-phenyl-4-thiazoline-4-acetate, ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]ac, Ethyl [2-(dicyanomethylidene)-3-phenyl-2,3-dihydro-1,3-thiazol-4-yl]acetate
| Molecular Formula | C16H13N3O2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.07285 |
| Heavy Atoms | 22 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 84645-53-4 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=C(C#N)C#N)N1C2=CC=CC=C2 |
| InChIKey | MCBKDWGYEKOMHO-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate (CAS 84645-53-4), with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol. IUPAC: ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate.
Chemical Property Profile of Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate
Property Insights of Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate has 0 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 Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate?
The CAS number of Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate is 84645-53-4.
What is the molecular formula of Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate?
The molecular formula of Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate is C16H13N3O2S.
What is the molecular weight of Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate?
The molecular weight of Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate is 311.07 g/mol.
Where can I buy Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate?
You can request a quote for Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[2-(dicyanomethylidene)-3-phenyl-1,3-thiazol-4-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.