C19H18F3N3O2S
TL;DR: C19H18F3N3O2S (CAS 1025268-75-0) is a chemical compound with molecular formula C19H18F3N3O2S and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylphenyl)sulfonyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]prop-2-enenitrile
Also Known As: 2-((4-(TERT-BUTYL)PHENYL)SULFONYL)-3-((5-(TRIFLUOROMETHYL)(2-PYRIDYL))AMINO)PROP-2-ENENITRILE, 2-(4-tert-butylphenyl)sulfonyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]prop-2-enenitrile, 2-(4-tert-butylphenyl)sulfonyl-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile, C19H18F3N3O2S
| Molecular Formula | C19H18F3N3O2S |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 4.64868 |
| Topological Polar Surface Area | 82.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.10718 |
| Heavy Atoms | 28 |
| Complexity | 1012.56915 |
Chemical Identifiers
| CAS Number | 1025268-75-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C(=CNC2=NC=C(C=C2)C(F)(F)F)C#N |
Product Overview
C19H18F3N3O2S (CAS 1025268-75-0), with molecular formula C19H18F3N3O2S and molecular weight 409.11 g/mol. IUPAC: 2-(4-tert-butylphenyl)sulfonyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]prop-2-enenitrile.
Chemical Property Profile of C19H18F3N3O2S
Property Insights of C19H18F3N3O2S
The XLogP value of 4.64868 indicates that C19H18F3N3O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.85 Ų falls within the moderate polarity range, balancing permeability and solubility for C19H18F3N3O2S. Following Lipinski's Rule of Five, C19H18F3N3O2S has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C19H18F3N3O2S?
The CAS number of C19H18F3N3O2S is 1025268-75-0.
What is the molecular formula of C19H18F3N3O2S?
The molecular formula of C19H18F3N3O2S is C19H18F3N3O2S.
What is the molecular weight of C19H18F3N3O2S?
The molecular weight of C19H18F3N3O2S is 409.11 g/mol.
Where can I buy C19H18F3N3O2S?
You can request a quote for C19H18F3N3O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H18F3N3O2S?
Yes, KEHONG BIO provides custom synthesis services for C19H18F3N3O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.