3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE
TL;DR: 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE (CAS 1024754-35-5) is a chemical compound with molecular formula C21H17ClF6N4O2S and molecular weight 538.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]prop-2-enenitrile
Also Known As: 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE, (E)-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-{[3-(trifluoromethyl)benzyl]sulfonyl}-2-propenenitrile, 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]prop-2-enenitrile, 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]prop-2-enenitrile, 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-{[3-(trifluoromethyl)phenyl]methanesulfonyl}prop-2-enenitrile
| Molecular Formula | C21H17ClF6N4O2S |
|---|---|
| Molecular Weight | 538.07 g/mol |
| LogP | 4.87458 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 538.06647 |
| Heavy Atoms | 35 |
| Complexity | 1263.7966 |
Chemical Identifiers
| CAS Number | 1024754-35-5 |
|---|---|
| SMILES | C1CN(CCN1C=C(C#N)S(=O)(=O)CC2=CC(=CC=C2)C(F)(F)F)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE (CAS 1024754-35-5), with molecular formula C21H17ClF6N4O2S and molecular weight 538.07 g/mol. IUPAC: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]prop-2-enenitrile.
Chemical Property Profile of 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE
Property Insights of 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE
The XLogP value of 4.87458 indicates that 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE. Following Lipinski's Rule of Five, 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)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-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE?
The CAS number of 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE is 1024754-35-5.
What is the molecular formula of 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE?
The molecular formula of 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE is C21H17ClF6N4O2S.
What is the molecular weight of 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE?
The molecular weight of 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE is 538.07 g/mol.
Where can I buy 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE?
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Does KEHONG BIO offer custom synthesis for 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.