![(2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide structure](/static/products/4687/468771-77-9.webp)
(2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide
TL;DR: (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide (CAS 468771-77-9) is a chemical compound with molecular formula C25H22F3N3OS and molecular weight 469.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-tert-butylphenyl)-2-cyano-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]prop-2-enamide
Also Known As: (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide, (E)-3-(4-tert-butylphenyl)-2-cyano-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]prop-2-enamide, (2E)-3-[4-(tert-butyl)phenyl]-2-cyano-N-(5-{[3-(trifluoromethyl)phenyl]methyl} (1,3-thiazol-2-yl))prop-2-enamide, 3-(4-tert-butylphenyl)-2-cyano-N-(5-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-yl)prop-2-enamide
| Molecular Formula | C25H22F3N3OS |
|---|---|
| Molecular Weight | 469.14 g/mol |
| LogP | 6.59588 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.14355 |
| Heavy Atoms | 33 |
| Complexity | 1213.1747 |
Chemical Identifiers
| CAS Number | 468771-77-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)C(F)(F)F |
Product Overview
(2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide (CAS 468771-77-9), with molecular formula C25H22F3N3OS and molecular weight 469.14 g/mol. IUPAC: (E)-3-(4-tert-butylphenyl)-2-cyano-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]prop-2-enamide.
Chemical Property Profile of (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide
Property Insights of (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide
The XLogP value of 6.59588 indicates that (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide. Following Lipinski's Rule of Five, (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide?
The CAS number of (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide is 468771-77-9.
What is the molecular formula of (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide?
The molecular formula of (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide is C25H22F3N3OS.
What is the molecular weight of (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide?
The molecular weight of (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide is 469.14 g/mol.
Where can I buy (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide?
You can request a quote for (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-tert-butylphenyl)-2-cyano-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.