3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole
TL;DR: 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole (CAS 129544-85-0) is a chemical compound with molecular formula C22H19N3OS and molecular weight 373.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
Also Known As: 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole, BAS 02073268, 3-benzylsulfanyl-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole, 3-benzylsulfanyl-5-phenoxymethyl-4-phenyl-1,2,4-triazole, 3-Benzylsulfanyl-5-phenoxymethyl-4-phenyl-4H-[1,2,4]triazole
| Molecular Formula | C22H19N3OS |
|---|---|
| Molecular Weight | 373.12 g/mol |
| LogP | 5.1386 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.12488 |
| Heavy Atoms | 27 |
| Complexity | 911.3925 |
Chemical Identifiers
| CAS Number | 129544-85-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4 |
Product Overview
3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole (CAS 129544-85-0), with molecular formula C22H19N3OS and molecular weight 373.12 g/mol. IUPAC: 3-benzylsulfanyl-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole
Property Insights of 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole
The XLogP value of 5.1386 indicates that 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole?
The CAS number of 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole is 129544-85-0.
What is the molecular formula of 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole?
The molecular formula of 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole is C22H19N3OS.
What is the molecular weight of 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole?
The molecular weight of 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole is 373.12 g/mol.
Where can I buy 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole?
You can request a quote for 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.