F1806-0096
TL;DR: F1806-0096 (CAS 868221-90-3) is a chemical compound with molecular formula C18H18F3N5S2 and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-butylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine
Also Known As: F1806-0096, 2-[[5-butylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine, 2-({[5-(butylsulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)pyrimidine, 2-(((5-(butylthio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine, 3-(butylthio)-5-[(2-pyrimidinylthio)methyl]-4-[m-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
| Molecular Formula | C18H18F3N5S2 |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 5.2606 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.09558 |
| Heavy Atoms | 28 |
| Complexity | 899.73676 |
Chemical Identifiers
| CAS Number | 868221-90-3 |
|---|---|
| SMILES | CCCCSC1=NN=C(N1C2=CC=CC(=C2)C(F)(F)F)CSC3=NC=CC=N3 |
Product Overview
F1806-0096 (CAS 868221-90-3), with molecular formula C18H18F3N5S2 and molecular weight 425.10 g/mol. IUPAC: 2-[[5-butylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine.
Chemical Property Profile of F1806-0096
Property Insights of F1806-0096
The XLogP value of 5.2606 indicates that F1806-0096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, F1806-0096 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1806-0096 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 F1806-0096?
The CAS number of F1806-0096 is 868221-90-3.
What is the molecular formula of F1806-0096?
The molecular formula of F1806-0096 is C18H18F3N5S2.
What is the molecular weight of F1806-0096?
The molecular weight of F1806-0096 is 425.10 g/mol.
Where can I buy F1806-0096?
You can request a quote for F1806-0096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1806-0096?
Yes, KEHONG BIO provides custom synthesis services for F1806-0096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.