(Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: (Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 587011-40-3) is a chemical compound with molecular formula C25H25N3O4S2 and molecular weight 495.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-tert-butyl 4-O-ethyl 5-[[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: (Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate, F3220-0042, 2-TERT-BUTYL 4-ETHYL 5-{[(1Z)-2-CYANO-2-(4-PHENYL-1,3-THIAZOL-2-YL)ETH-1-EN-1-YL]AMINO}-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE, 2-O-tert-butyl 4-O-ethyl 5-[[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate, 2-tert-butyl 4-ethyl 5-{[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C25H25N3O4S2 |
|---|---|
| Molecular Weight | 495.13 g/mol |
| LogP | 6.2886 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.12866 |
| Heavy Atoms | 34 |
| Complexity | 1261.5542 |
Chemical Identifiers
| CAS Number | 587011-40-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)N/C=C(/C#N)\C2=NC(=CS2)C3=CC=CC=C3 |
Product Overview
(Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 587011-40-3), with molecular formula C25H25N3O4S2 and molecular weight 495.13 g/mol. IUPAC: 2-O-tert-butyl 4-O-ethyl 5-[[(Z)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of (Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of (Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 6.2886 indicates that (Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, (Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of (Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is 587011-40-3.
What is the molecular formula of (Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of (Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is C25H25N3O4S2.
What is the molecular weight of (Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of (Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is 495.13 g/mol.
Where can I buy (Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for (Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)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)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-phenylthiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.