![2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile structure](/static/products/3390/339026-38-9.webp)
2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
TL;DR: 2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile (CAS 339026-38-9) is a chemical compound with molecular formula C13H7ClF3N3S and molecular weight 329.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
Also Known As: 2-[2-(4-chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile, 2-[2-(4-chloroanilino)vinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
| Molecular Formula | C13H7ClF3N3S |
|---|---|
| Molecular Weight | 329.00 g/mol |
| LogP | 4.76978 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.00012 |
| Heavy Atoms | 21 |
| Complexity | 698.93207 |
Chemical Identifiers
| CAS Number | 339026-38-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC=CC2=NC(=C(S2)C#N)C(F)(F)F)Cl |
Product Overview
2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile (CAS 339026-38-9), with molecular formula C13H7ClF3N3S and molecular weight 329.00 g/mol. IUPAC: 2-[2-(4-chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile.
Chemical Property Profile of 2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
Property Insights of 2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
The XLogP value of 4.76978 indicates that 2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, 2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile has 1 hydrogen bond donor(s) and 4 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 2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile?
The CAS number of 2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile is 339026-38-9.
What is the molecular formula of 2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile?
The molecular formula of 2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile is C13H7ClF3N3S.
What is the molecular weight of 2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile?
The molecular weight of 2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile is 329.00 g/mol.
Where can I buy 2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile?
You can request a quote for 2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Chloroanilino)ethenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.