![3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole structure](/static/products/4967/496776-23-9.webp)
3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole
TL;DR: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole (CAS 496776-23-9) is a chemical compound with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-4-methyl-5-(2-phenylethylsulfanyl)-1,2,4-triazole
Also Known As: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole, AF-399/41668465, F1308-0035, 3-(2H-1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-4-methyl-5-(2-phenylethylsulfanyl)-1,2,4-triazole
| Molecular Formula | C18H17N3O2S |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 3.5456 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.10416 |
| Heavy Atoms | 24 |
| Complexity | 848.72516 |
Chemical Identifiers
| CAS Number | 496776-23-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4 |
Product Overview
3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole (CAS 496776-23-9), with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-(2-phenylethylsulfanyl)-1,2,4-triazole.
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole
Property Insights of 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole
The XLogP value of 3.5456 indicates that 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-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-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-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-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole?
The CAS number of 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole is 496776-23-9.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole is C18H17N3O2S.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole is 339.10 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-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-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-4-methyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.