3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine
TL;DR: 3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine (CAS 330551-85-4) is a chemical compound with molecular formula C24H19N3O2S and molecular weight 413.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine
Also Known As: ChemDiv3_003455, Salor-int l223514-1ea, IDI1_021365, BAS 01127300, 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)thio)-5,6-diphenyl-1,2,4-triazine
| Molecular Formula | C24H19N3O2S |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 5.1377 |
| Topological Polar Surface Area | 57.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.1198 |
| Heavy Atoms | 30 |
| Complexity | 1139.5233 |
Chemical Identifiers
| CAS Number | 330551-85-4 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine (CAS 330551-85-4), with molecular formula C24H19N3O2S and molecular weight 413.12 g/mol. IUPAC: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine.
Chemical Property Profile of 3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine
Property Insights of 3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine
The XLogP value of 5.1377 indicates that 3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.13 Ų, 3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine?
The CAS number of 3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine is 330551-85-4.
What is the molecular formula of 3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine?
The molecular formula of 3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine is C24H19N3O2S.
What is the molecular weight of 3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine?
The molecular weight of 3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine is 413.12 g/mol.
Where can I buy 3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine?
You can request a quote for 3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)thio)-5,6-diphenyl-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.