![3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile structure](/static/products/3384/338413-01-7.webp)
3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile
TL;DR: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile (CAS 338413-01-7) is a chemical compound with molecular formula C19H9ClF6N4OS2 and molecular weight 521.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile
Also Known As: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile, 3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-5-{2-[4-(trifluoromethoxy)anilino]vinyl}-4-isothiazolecarbonitrile
| Molecular Formula | C19H9ClF6N4OS2 |
|---|---|
| Molecular Weight | 521.98 g/mol |
| LogP | 7.21458 |
| Topological Polar Surface Area | 70.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.9811 |
| Heavy Atoms | 33 |
| Complexity | 1202.9626 |
Chemical Identifiers
| CAS Number | 338413-01-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC=CC2=C(C(=NS2)SC3=C(C=C(C=N3)C(F)(F)F)Cl)C#N)OC(F)(F)F |
Product Overview
3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile (CAS 338413-01-7), with molecular formula C19H9ClF6N4OS2 and molecular weight 521.98 g/mol. IUPAC: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile
Property Insights of 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile
The XLogP value of 7.21458 indicates that 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile?
The CAS number of 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile is 338413-01-7.
What is the molecular formula of 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile?
The molecular formula of 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile is C19H9ClF6N4OS2.
What is the molecular weight of 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile?
The molecular weight of 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile is 521.98 g/mol.
Where can I buy 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile?
You can request a quote for 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-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 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-[2-[4-(trifluoromethoxy)anilino]ethenyl]-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.