![2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile structure](/static/products/3214/321430-71-1.webp)
2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile
TL;DR: 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile (CAS 321430-71-1) is a chemical compound with molecular formula C19H13ClF3N5OS and molecular weight 451.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile
Also Known As: 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile, 2-[3-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}methyl)-1H-1,2,4-triazol-5-yl]-3-(4-methoxyphenyl)acrylonitrile, 5-[[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-I+/--[(4-methoxyphenyl)methylene]-1H-1,2,4-triazole-3-acetonitrile
| Molecular Formula | C19H13ClF3N5OS |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 5.23698 |
| Topological Polar Surface Area | 87.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.04816 |
| Heavy Atoms | 30 |
| Complexity | 1106.593 |
Chemical Identifiers
| CAS Number | 321430-71-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=C(C#N)C2=NNC(=N2)CSC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile (CAS 321430-71-1), with molecular formula C19H13ClF3N5OS and molecular weight 451.05 g/mol. IUPAC: 2-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile
Property Insights of 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile
The XLogP value of 5.23698 indicates that 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile 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 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile?
The CAS number of 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile is 321430-71-1.
What is the molecular formula of 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile?
The molecular formula of 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile is C19H13ClF3N5OS.
What is the molecular weight of 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile?
The molecular weight of 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile is 451.05 g/mol.
Where can I buy 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile?
You can request a quote for 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.