![5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile structure](/static/products/3384/338412-99-0.webp)
5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile
TL;DR: 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile (CAS 338412-99-0) is a chemical compound with molecular formula C18H9BrClF3N4S2 and molecular weight 515.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-bromoanilino)ethenyl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2-thiazole-4-carbonitrile
Also Known As: 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile, 5-[2-(4-bromoanilino)vinyl]-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile
| Molecular Formula | C18H9BrClF3N4S2 |
|---|---|
| Molecular Weight | 515.91 g/mol |
| LogP | 7.07848 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 515.90924 |
| Heavy Atoms | 29 |
| Complexity | 1091.9662 |
Chemical Identifiers
| CAS Number | 338412-99-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NC=CC2=C(C(=NS2)SC3=C(C=C(C=N3)C(F)(F)F)Cl)C#N)Br |
Product Overview
5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile (CAS 338412-99-0), with molecular formula C18H9BrClF3N4S2 and molecular weight 515.91 g/mol. IUPAC: 5-[2-(4-bromoanilino)ethenyl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile
Property Insights of 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile
The XLogP value of 7.07848 indicates that 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile?
The CAS number of 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile is 338412-99-0.
What is the molecular formula of 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile?
The molecular formula of 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile is C18H9BrClF3N4S2.
What is the molecular weight of 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile?
The molecular weight of 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile is 515.91 g/mol.
Where can I buy 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile?
You can request a quote for 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(4-bromoanilino)ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.