![2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile structure](/static/products/1025/1025568-00-6.webp)
2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile
TL;DR: 2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile (CAS 1025568-00-6) is a chemical compound with molecular formula C21H13F3N2O3S and molecular weight 430.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enenitrile
Also Known As: 2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile, (E)-2-(phenylsulfonyl)-3-(4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)-2-propenenitrile, 2-(PHENYLSULFONYL)-3-(4-(5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)PROP-2-ENENITRILE
| Molecular Formula | C21H13F3N2O3S |
|---|---|
| Molecular Weight | 430.06 g/mol |
| LogP | 5.23108 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.0599 |
| Heavy Atoms | 30 |
| Complexity | 1197.5966 |
Chemical Identifiers
| CAS Number | 1025568-00-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F)C#N |
Product Overview
2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile (CAS 1025568-00-6), with molecular formula C21H13F3N2O3S and molecular weight 430.06 g/mol. IUPAC: 2-(benzenesulfonyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enenitrile.
Chemical Property Profile of 2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile
Property Insights of 2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile
The XLogP value of 5.23108 indicates that 2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile?
The CAS number of 2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile is 1025568-00-6.
What is the molecular formula of 2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile?
The molecular formula of 2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile is C21H13F3N2O3S.
What is the molecular weight of 2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile?
The molecular weight of 2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile is 430.06 g/mol.
Where can I buy 2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile?
You can request a quote for 2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]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-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzenesulfonyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.