F1806-0196
TL;DR: F1806-0196 (CAS 868222-63-3) is a chemical compound with molecular formula C17H16F3N5S2 and molecular weight 411.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-[[5-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine
Also Known As: F1806-0196, 4,6-dimethyl-2-(((5-(methylthio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine, 4,6-dimethyl-2-({[5-(methylsulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)pyrimidine, 4,6-dimethyl-2-[[5-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine
| Molecular Formula | C17H16F3N5S2 |
|---|---|
| Molecular Weight | 411.08 g/mol |
| LogP | 4.70714 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.07993 |
| Heavy Atoms | 27 |
| Complexity | 935.7322 |
Chemical Identifiers
| CAS Number | 868222-63-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SC)C |
Product Overview
F1806-0196 (CAS 868222-63-3), with molecular formula C17H16F3N5S2 and molecular weight 411.08 g/mol. IUPAC: 4,6-dimethyl-2-[[5-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine.
Chemical Property Profile of F1806-0196
Property Insights of F1806-0196
The XLogP value of 4.70714 indicates that F1806-0196 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, F1806-0196 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1806-0196 has 0 hydrogen bond donor(s) and 6 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 F1806-0196?
The CAS number of F1806-0196 is 868222-63-3.
What is the molecular formula of F1806-0196?
The molecular formula of F1806-0196 is C17H16F3N5S2.
What is the molecular weight of F1806-0196?
The molecular weight of F1806-0196 is 411.08 g/mol.
Where can I buy F1806-0196?
You can request a quote for F1806-0196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1806-0196?
Yes, KEHONG BIO provides custom synthesis services for F1806-0196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.