![5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile structure](/static/products/3384/338413-11-9.webp)
5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile
TL;DR: 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile (CAS 338413-11-9) is a chemical compound with molecular formula C19H11BrClF3N4OS2 and molecular weight 545.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[(2-bromophenyl)methoxyimino]ethyl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2-thiazole-4-carbonitrile
Also Known As: 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile, 5-[2-[(2-bromophenyl)methoxyimino]ethyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile
| Molecular Formula | C19H11BrClF3N4OS2 |
|---|---|
| Molecular Weight | 545.92 g/mol |
| LogP | 6.74078 |
| Topological Polar Surface Area | 71.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 545.9198 |
| Heavy Atoms | 31 |
| Complexity | 1147.9121 |
Chemical Identifiers
| CAS Number | 338413-11-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CON=CCC2=C(C(=NS2)SC3=C(C=C(C=N3)C(F)(F)F)Cl)C#N)Br |
Product Overview
5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile (CAS 338413-11-9), with molecular formula C19H11BrClF3N4OS2 and molecular weight 545.92 g/mol. IUPAC: 5-[2-[(2-bromophenyl)methoxyimino]ethyl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile
Property Insights of 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile
The XLogP value of 6.74078 indicates that 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile. Following Lipinski's Rule of Five, 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile has 0 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 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile?
The CAS number of 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile is 338413-11-9.
What is the molecular formula of 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile?
The molecular formula of 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile is C19H11BrClF3N4OS2.
What is the molecular weight of 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile?
The molecular weight of 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile is 545.92 g/mol.
Where can I buy 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile?
You can request a quote for 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-{[(2-bromobenzyl)oxy]imino}ethyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.