F1806-0122
TL;DR: F1806-0122 (CAS 868222-04-2) is a chemical compound with molecular formula C21H27N5S2 and molecular weight 413.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-butylsulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine
Also Known As: F1806-0122, 2-({[5-(butylsulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyrimidine, 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine, 2-[(5-butylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine, 2-[[5-butylsulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine
| Molecular Formula | C21H27N5S2 |
|---|---|
| Molecular Weight | 413.17 g/mol |
| LogP | 5.11214 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 413.17078 |
| Heavy Atoms | 28 |
| Complexity | 859.5074 |
Chemical Identifiers
| CAS Number | 868222-04-2 |
|---|---|
| SMILES | CCCCSC1=NN=C(N1CCC2=CC=CC=C2)CSC3=NC(=CC(=N3)C)C |
Product Overview
F1806-0122 (CAS 868222-04-2), with molecular formula C21H27N5S2 and molecular weight 413.17 g/mol. IUPAC: 2-[[5-butylsulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine.
Chemical Property Profile of F1806-0122
Property Insights of F1806-0122
The XLogP value of 5.11214 indicates that F1806-0122 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, F1806-0122 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1806-0122 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 F1806-0122?
The CAS number of F1806-0122 is 868222-04-2.
What is the molecular formula of F1806-0122?
The molecular formula of F1806-0122 is C21H27N5S2.
What is the molecular weight of F1806-0122?
The molecular weight of F1806-0122 is 413.17 g/mol.
Where can I buy F1806-0122?
You can request a quote for F1806-0122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1806-0122?
Yes, KEHONG BIO provides custom synthesis services for F1806-0122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.