3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole
TL;DR: 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole (CAS 240799-52-4) is a chemical compound with molecular formula C19H21N3O2S and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-5-(2,2-dimethoxyethyl)-4-phenyl-1,2,4-triazole
Also Known As: Bionet1_000175, 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole, DivK1c_002191, CDS1_001151, 3-benzylsulfanyl-5-(2,2-dimethoxyethyl)-4-phenyl-1,2,4-triazole
| Molecular Formula | C19H21N3O2S |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 3.721 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 355.13544 |
| Heavy Atoms | 25 |
| Complexity | 773.878 |
Chemical Identifiers
| CAS Number | 240799-52-4 |
|---|---|
| SMILES | COC(CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=CC=C3)OC |
Product Overview
3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole (CAS 240799-52-4), with molecular formula C19H21N3O2S and molecular weight 355.14 g/mol. IUPAC: 3-benzylsulfanyl-5-(2,2-dimethoxyethyl)-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole
Property Insights of 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole
The XLogP value of 3.721 indicates that 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-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 49.17 Ų, 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 5 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 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole?
The CAS number of 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole is 240799-52-4.
What is the molecular formula of 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole?
The molecular formula of 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole is C19H21N3O2S.
What is the molecular weight of 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole?
The molecular weight of 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole is 355.14 g/mol.
Where can I buy 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole?
You can request a quote for 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-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-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.