3-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole
TL;DR: 3-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole (CAS 592536-79-3) is a chemical compound with molecular formula C24H23N3OS and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole
Also Known As: 3-benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole, AH-487/41735899, 3-benzyl-5-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole, 4-[3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]phenyl ethyl ether
| Molecular Formula | C24H23N3OS |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 5.5491 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.1562 |
| Heavy Atoms | 29 |
| Complexity | 1030.9359 |
Chemical Identifiers
| CAS Number | 592536-79-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
3-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole (CAS 592536-79-3), with molecular formula C24H23N3OS and molecular weight 401.16 g/mol. IUPAC: 3-benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole.
Chemical Property Profile of 3-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole
Property Insights of 3-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole
The XLogP value of 5.5491 indicates that 3-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-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-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-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-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole?
The CAS number of 3-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole is 592536-79-3.
What is the molecular formula of 3-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole?
The molecular formula of 3-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole is C24H23N3OS.
What is the molecular weight of 3-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole?
The molecular weight of 3-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole is 401.16 g/mol.
Where can I buy 3-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole?
You can request a quote for 3-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-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-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.