TimTec1_002847
TL;DR: TimTec1_002847 (CAS 499124-84-4) is a chemical compound with molecular formula C22H17F3N4S and molecular weight 426.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-methylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: TimTec1_002847, BRD-K85049029-001-01-5, 4-[4-(4-methylphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine, 4-(4-(p-tolyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 4-(4-ME-PH)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL 3-(TRI-F-ME)BENZYL SULFIDE
| Molecular Formula | C22H17F3N4S |
|---|---|
| Molecular Weight | 426.11 g/mol |
| LogP | 5.94882 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.1126 |
| Heavy Atoms | 30 |
| Complexity | 1139.2688 |
Chemical Identifiers
| CAS Number | 499124-84-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)C(F)(F)F)C4=CC=NC=C4 |
Product Overview
TimTec1_002847 (CAS 499124-84-4), with molecular formula C22H17F3N4S and molecular weight 426.11 g/mol. IUPAC: 4-[4-(4-methylphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of TimTec1_002847
Property Insights of TimTec1_002847
The XLogP value of 5.94882 indicates that TimTec1_002847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, TimTec1_002847 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_002847 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TimTec1_002847?
The CAS number of TimTec1_002847 is 499124-84-4.
What is the molecular formula of TimTec1_002847?
The molecular formula of TimTec1_002847 is C22H17F3N4S.
What is the molecular weight of TimTec1_002847?
The molecular weight of TimTec1_002847 is 426.11 g/mol.
Where can I buy TimTec1_002847?
You can request a quote for TimTec1_002847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_002847?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_002847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.