IFLab1_006358
TL;DR: IFLab1_006358 (CAS 868221-64-1) is a chemical compound with molecular formula C16H16FN5S2 and molecular weight 361.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-fluorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine
Also Known As: IFLab1_006358, AB00686521-01, F1806-0069, 2-(((4-(4-fluorophenyl)-5-(isopropylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine, 2-({[4-(4-fluorophenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)pyrimidine
| Molecular Formula | C16H16FN5S2 |
|---|---|
| Molecular Weight | 361.08 g/mol |
| LogP | 3.9892 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.08313 |
| Heavy Atoms | 24 |
| Complexity | 789.98724 |
Chemical Identifiers
| CAS Number | 868221-64-1 |
|---|---|
| SMILES | CC(C)SC1=NN=C(N1C2=CC=C(C=C2)F)CSC3=NC=CC=N3 |
Product Overview
IFLab1_006358 (CAS 868221-64-1), with molecular formula C16H16FN5S2 and molecular weight 361.08 g/mol. IUPAC: 2-[[4-(4-fluorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine.
Chemical Property Profile of IFLab1_006358
Property Insights of IFLab1_006358
The XLogP value of 3.9892 indicates that IFLab1_006358 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_006358 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_006358 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_006358?
The CAS number of IFLab1_006358 is 868221-64-1.
What is the molecular formula of IFLab1_006358?
The molecular formula of IFLab1_006358 is C16H16FN5S2.
What is the molecular weight of IFLab1_006358?
The molecular weight of IFLab1_006358 is 361.08 g/mol.
Where can I buy IFLab1_006358?
You can request a quote for IFLab1_006358 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_006358?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_006358 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.