![3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole structure](/static/products/869/869356-91-2.png)
3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole
TL;DR: 3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole (CAS 869356-91-2) is a chemical compound with molecular formula C19H18ClN3O3S and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(3-methoxyphenyl)-4-methyl-1,2,4-triazole
Also Known As: 3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole, 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(3-methoxyphenyl)-4-methyl-1,2,4-triazole
| Molecular Formula | C19H18ClN3O3S |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 4.3029 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.07574 |
| Heavy Atoms | 27 |
| Complexity | 976.82886 |
Chemical Identifiers
| CAS Number | 869356-91-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC(=CC3=C2OCOC3)Cl)C4=CC(=CC=C4)OC |
Product Overview
3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole (CAS 869356-91-2), with molecular formula C19H18ClN3O3S and molecular weight 403.08 g/mol. IUPAC: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(3-methoxyphenyl)-4-methyl-1,2,4-triazole.
Chemical Property Profile of 3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole
Property Insights of 3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole
The XLogP value of 4.3029 indicates that 3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-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 58.4 Ų, 3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole 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 3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole?
The CAS number of 3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole is 869356-91-2.
What is the molecular formula of 3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole?
The molecular formula of 3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole is C19H18ClN3O3S.
What is the molecular weight of 3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole?
The molecular weight of 3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole is 403.08 g/mol.
Where can I buy 3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole?
You can request a quote for 3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-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-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(((6-Chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl)thio)-5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.