2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine
TL;DR: 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine (CAS 868221-18-5) is a chemical compound with molecular formula C19H23N5S2 and molecular weight 385.14 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]pyrimidine
Also Known As: F1806-0018, 2-({[5-(butylsulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)pyrimidine, 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine, 2-[(5-butylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine, 2-[[5-butylsulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine
| Molecular Formula | C19H23N5S2 |
|---|---|
| Molecular Weight | 385.14 g/mol |
| LogP | 4.4953 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 385.1395 |
| Heavy Atoms | 26 |
| Complexity | 777.1383 |
Chemical Identifiers
| CAS Number | 868221-18-5 |
|---|---|
| SMILES | CCCCSC1=NN=C(N1CCC2=CC=CC=C2)CSC3=NC=CC=N3 |
Product Overview
2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine (CAS 868221-18-5), with molecular formula C19H23N5S2 and molecular weight 385.14 g/mol. IUPAC: 2-[[5-butylsulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine.
Chemical Property Profile of 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine
Property Insights of 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine
The XLogP value of 4.4953 indicates that 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine 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 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine?
The CAS number of 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine is 868221-18-5.
What is the molecular formula of 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine?
The molecular formula of 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine is C19H23N5S2.
What is the molecular weight of 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine?
The molecular weight of 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine is 385.14 g/mol.
Where can I buy 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine?
You can request a quote for 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(((5-(butylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.