3-(Oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine
TL;DR: 3-(Oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine (CAS 851789-48-5) is a chemical compound with molecular formula C20H19N3OS and molecular weight 349.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine
Also Known As: 3-(2-oxolanylmethylthio)-5,6-diphenyl-1,2,4-triazine, 3-(oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine, 3-{[(oxolan-2-yl)methyl]sulfanyl}-5,6-diphenyl-1,2,4-triazine, RefChem:935624
| Molecular Formula | C20H19N3OS |
|---|---|
| Molecular Weight | 349.12 g/mol |
| LogP | 4.4767 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.12488 |
| Heavy Atoms | 25 |
| Complexity | 820.8596 |
Chemical Identifiers
| CAS Number | 851789-48-5 |
|---|---|
| SMILES | C1CC(OC1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
3-(Oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine (CAS 851789-48-5), with molecular formula C20H19N3OS and molecular weight 349.12 g/mol. IUPAC: 3-(oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine.
Chemical Property Profile of 3-(Oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine
Property Insights of 3-(Oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine
The XLogP value of 4.4767 indicates that 3-(Oxolan-2-ylmethylsulfanyl)-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 47.9 Ų, 3-(Oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine 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-(Oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine?
The CAS number of 3-(Oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine is 851789-48-5.
What is the molecular formula of 3-(Oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine?
The molecular formula of 3-(Oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine is C20H19N3OS.
What is the molecular weight of 3-(Oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine?
The molecular weight of 3-(Oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine is 349.12 g/mol.
Where can I buy 3-(Oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine?
You can request a quote for 3-(Oxolan-2-ylmethylsulfanyl)-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-(Oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Oxolan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.