3,6-Diphenyl-1,2,4-triazin-5-yl 4-fluorophenyl sulfide
TL;DR: 3,6-Diphenyl-1,2,4-triazin-5-yl 4-fluorophenyl sulfide (CAS 339013-10-4) is a chemical compound with molecular formula C21H14FN3S and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)sulfanyl-3,6-diphenyl-1,2,4-triazine
Also Known As: Bionet1_003201, 7K-337S, 3,6-diphenyl-1,2,4-triazin-5-yl 4-fluorophenyl sulfide, 5-[(4-fluorophenyl)sulfanyl]-3,6-diphenyl-1,2,4-triazine, 5-(4-fluorophenyl)sulfanyl-3,6-diphenyl-1,2,4-triazine
| Molecular Formula | C21H14FN3S |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 5.4959 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.08923 |
| Heavy Atoms | 26 |
| Complexity | 1006.33954 |
Chemical Identifiers
| CAS Number | 339013-10-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N=C(N=N2)C3=CC=CC=C3)SC4=CC=C(C=C4)F |
Product Overview
3,6-Diphenyl-1,2,4-triazin-5-yl 4-fluorophenyl sulfide (CAS 339013-10-4), with molecular formula C21H14FN3S and molecular weight 359.09 g/mol. IUPAC: 5-(4-fluorophenyl)sulfanyl-3,6-diphenyl-1,2,4-triazine.
Chemical Property Profile of 3,6-Diphenyl-1,2,4-triazin-5-yl 4-fluorophenyl sulfide
Property Insights of 3,6-Diphenyl-1,2,4-triazin-5-yl 4-fluorophenyl sulfide
The XLogP value of 5.4959 indicates that 3,6-Diphenyl-1,2,4-triazin-5-yl 4-fluorophenyl 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-fluorophenyl 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-fluorophenyl 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-fluorophenyl sulfide?
The CAS number of 3,6-Diphenyl-1,2,4-triazin-5-yl 4-fluorophenyl sulfide is 339013-10-4.
What is the molecular formula of 3,6-Diphenyl-1,2,4-triazin-5-yl 4-fluorophenyl sulfide?
The molecular formula of 3,6-Diphenyl-1,2,4-triazin-5-yl 4-fluorophenyl sulfide is C21H14FN3S.
What is the molecular weight of 3,6-Diphenyl-1,2,4-triazin-5-yl 4-fluorophenyl sulfide?
The molecular weight of 3,6-Diphenyl-1,2,4-triazin-5-yl 4-fluorophenyl sulfide is 359.09 g/mol.
Where can I buy 3,6-Diphenyl-1,2,4-triazin-5-yl 4-fluorophenyl sulfide?
You can request a quote for 3,6-Diphenyl-1,2,4-triazin-5-yl 4-fluorophenyl 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-fluorophenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Diphenyl-1,2,4-triazin-5-yl 4-fluorophenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.