IFLab1_006384
TL;DR: IFLab1_006384 (CAS 868221-87-8) is a chemical compound with molecular formula C15H12F3N5S2 and molecular weight 383.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine
Also Known As: IFLab1_006384, F1806-0092, 2-(((5-(methylthio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine, 2-({[5-(methylsulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)pyrimidine, 2-[[5-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine
| Molecular Formula | C15H12F3N5S2 |
|---|---|
| Molecular Weight | 383.05 g/mol |
| LogP | 4.0903 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.0486 |
| Heavy Atoms | 25 |
| Complexity | 851.8732 |
Chemical Identifiers
| CAS Number | 868221-87-8 |
|---|---|
| SMILES | CSC1=NN=C(N1C2=CC=CC(=C2)C(F)(F)F)CSC3=NC=CC=N3 |
Product Overview
IFLab1_006384 (CAS 868221-87-8), with molecular formula C15H12F3N5S2 and molecular weight 383.05 g/mol. IUPAC: 2-[[5-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine.
Chemical Property Profile of IFLab1_006384
Property Insights of IFLab1_006384
The XLogP value of 4.0903 indicates that IFLab1_006384 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, IFLab1_006384 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_006384 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 IFLab1_006384?
The CAS number of IFLab1_006384 is 868221-87-8.
What is the molecular formula of IFLab1_006384?
The molecular formula of IFLab1_006384 is C15H12F3N5S2.
What is the molecular weight of IFLab1_006384?
The molecular weight of IFLab1_006384 is 383.05 g/mol.
Where can I buy IFLab1_006384?
You can request a quote for IFLab1_006384 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_006384?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_006384 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.