(E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 577997-86-5) is a chemical compound with molecular formula C29H27N3O4S2 and molecular weight 545.14 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-[[(E)-2-cyano-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate, 2-O-tert-butyl 4-O-ethyl 5-[[(E)-2-cyano-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C29H27N3O4S2 |
|---|---|
| Molecular Weight | 545.14 g/mol |
| LogP | 7.4418 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 545.1443 |
| Heavy Atoms | 38 |
| Complexity | 1580.081 |
Chemical Identifiers
| CAS Number | 577997-86-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=CC4=CC=CC=C43 |
Product Overview
(E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 577997-86-5), with molecular formula C29H27N3O4S2 and molecular weight 545.14 g/mol. IUPAC: 2-O-tert-butyl 4-O-ethyl 5-[[(E)-2-cyano-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 7.4418 indicates that (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-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 (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-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 (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is 577997-86-5.
What is the molecular formula of (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is C29H27N3O4S2.
What is the molecular weight of (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is 545.14 g/mol.
Where can I buy (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-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 (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-tert-butyl 4-ethyl 5-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.