3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE
TL;DR: 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE (CAS 1025259-86-2) is a chemical compound with molecular formula C22H14ClF3N2O4S and molecular weight 494.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]prop-2-enenitrile
Also Known As: 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE, (E)-3-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-3-methoxyphenyl)-2-(phenylsulfonyl)-2-propenenitrile, 2-(benzenesulfonyl)-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]-3-methoxy-phenyl]prop-2-enenitrile, 2-(benzenesulfonyl)-3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-3-methoxyphenyl]prop-2-enenitrile
| Molecular Formula | C22H14ClF3N2O4S |
|---|---|
| Molecular Weight | 494.03 g/mol |
| LogP | 5.89308 |
| Topological Polar Surface Area | 89.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.0315 |
| Heavy Atoms | 33 |
| Complexity | 1352.2893 |
Chemical Identifiers
| CAS Number | 1025259-86-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC2=C(C=C(C=N2)C(F)(F)F)Cl)C=C(C#N)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE (CAS 1025259-86-2), with molecular formula C22H14ClF3N2O4S and molecular weight 494.03 g/mol. IUPAC: 2-(benzenesulfonyl)-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]prop-2-enenitrile.
Chemical Property Profile of 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE
Property Insights of 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE
The XLogP value of 5.89308 indicates that 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE. Following Lipinski's Rule of Five, 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE has 0 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 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE?
The CAS number of 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE is 1025259-86-2.
What is the molecular formula of 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE?
The molecular formula of 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE is C22H14ClF3N2O4S.
What is the molecular weight of 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE?
The molecular weight of 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE is 494.03 g/mol.
Where can I buy 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE?
You can request a quote for 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)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 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.