3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide
TL;DR: 3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide (CAS 339013-00-2) is a chemical compound with molecular formula C22H17N3S and molecular weight 355.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)sulfanyl-3,6-diphenyl-1,2,4-triazine
Also Known As: Bionet1_003177, 7K-315S, 3,6-diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide, 5-[(4-methylphenyl)sulfanyl]-3,6-diphenyl-1,2,4-triazine, 5-(4-methylphenyl)sulfanyl-3,6-diphenyl-1,2,4-triazine
| Molecular Formula | C22H17N3S |
|---|---|
| Molecular Weight | 355.11 g/mol |
| LogP | 5.66522 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.11432 |
| Heavy Atoms | 26 |
| Complexity | 1000.4707 |
Chemical Identifiers
| CAS Number | 339013-00-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(N=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide (CAS 339013-00-2), with molecular formula C22H17N3S and molecular weight 355.11 g/mol. IUPAC: 5-(4-methylphenyl)sulfanyl-3,6-diphenyl-1,2,4-triazine.
Chemical Property Profile of 3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide
Property Insights of 3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide
The XLogP value of 5.66522 indicates that 3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, 3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide?
The CAS number of 3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide is 339013-00-2.
What is the molecular formula of 3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide?
The molecular formula of 3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide is C22H17N3S.
What is the molecular weight of 3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide?
The molecular weight of 3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide is 355.11 g/mol.
Where can I buy 3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide?
You can request a quote for 3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Diphenyl-1,2,4-triazin-5-yl 4-methylphenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.