2-(((5-(isopropylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine
TL;DR: 2-(((5-(isopropylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine (CAS 868221-17-4) is a chemical compound with molecular formula C18H21N5S2 and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-phenylethyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine
Also Known As: F1806-0017, 2-(((5-(isopropylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine, 2-({[4-(2-phenylethyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)pyrimidine, 2-[(4-phenethyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine, 2-[[4-(2-phenylethyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine
| Molecular Formula | C18H21N5S2 |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 4.1036 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.12384 |
| Heavy Atoms | 25 |
| Complexity | 774.67523 |
Chemical Identifiers
| CAS Number | 868221-17-4 |
|---|---|
| SMILES | CC(C)SC1=NN=C(N1CCC2=CC=CC=C2)CSC3=NC=CC=N3 |
Product Overview
2-(((5-(isopropylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine (CAS 868221-17-4), with molecular formula C18H21N5S2 and molecular weight 371.12 g/mol. IUPAC: 2-[[4-(2-phenylethyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine.
Chemical Property Profile of 2-(((5-(isopropylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine
Property Insights of 2-(((5-(isopropylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine
The XLogP value of 4.1036 indicates that 2-(((5-(isopropylthio)-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-(isopropylthio)-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-(isopropylthio)-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-(isopropylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine?
The CAS number of 2-(((5-(isopropylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine is 868221-17-4.
What is the molecular formula of 2-(((5-(isopropylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine?
The molecular formula of 2-(((5-(isopropylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine is C18H21N5S2.
What is the molecular weight of 2-(((5-(isopropylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine?
The molecular weight of 2-(((5-(isopropylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine is 371.12 g/mol.
Where can I buy 2-(((5-(isopropylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine?
You can request a quote for 2-(((5-(isopropylthio)-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-(isopropylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(((5-(isopropylthio)-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.