4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile
TL;DR: 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile (CAS 869578-20-1) is a chemical compound with molecular formula C17H9F3N2S and molecular weight 330.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzonitrile
Also Known As: starbld0007329, Maybridge4_004447, 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile, 4-(4-Cyanophenyl)-2-[4-(trifluoromethyl)phenyl]thiazole, BRD-K34803038-001-01-6
| Molecular Formula | C17H9F3N2S |
|---|---|
| Molecular Weight | 330.04 g/mol |
| LogP | 5.36758 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.04385 |
| Heavy Atoms | 23 |
| Complexity | 856.5944 |
Chemical Identifiers
| CAS Number | 869578-20-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C2=CSC(=N2)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile (CAS 869578-20-1), with molecular formula C17H9F3N2S and molecular weight 330.04 g/mol. IUPAC: 4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzonitrile.
Chemical Property Profile of 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile
Property Insights of 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile
The XLogP value of 5.36758 indicates that 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile?
The CAS number of 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile is 869578-20-1.
What is the molecular formula of 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile?
The molecular formula of 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile is C17H9F3N2S.
What is the molecular weight of 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile?
The molecular weight of 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile is 330.04 g/mol.
Where can I buy 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile?
You can request a quote for 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(4-(Trifluoromethyl)phenyl)thiazol-4-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.