![3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine structure](/static/products/3535/353516-64-0.webp)
3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
TL;DR: 3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine (CAS 353516-64-0) is a chemical compound with molecular formula C19H15FN4OS and molecular weight 366.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-fluorophenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: 3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, AN-655/12873013, 6-(2-fluorophenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C19H15FN4OS |
|---|---|
| Molecular Weight | 366.10 g/mol |
| LogP | 4.4589 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.09506 |
| Heavy Atoms | 26 |
| Complexity | 965.7741 |
Chemical Identifiers
| CAS Number | 353516-64-0 |
|---|---|
| SMILES | C=CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4F)N=N1 |
Product Overview
3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine (CAS 353516-64-0), with molecular formula C19H15FN4OS and molecular weight 366.10 g/mol. IUPAC: 6-(2-fluorophenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of 3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Property Insights of 3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
The XLogP value of 4.4589 indicates that 3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.93 Ų, 3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine has 1 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-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The CAS number of 3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine is 353516-64-0.
What is the molecular formula of 3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The molecular formula of 3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine is C19H15FN4OS.
What is the molecular weight of 3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The molecular weight of 3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine is 366.10 g/mol.
Where can I buy 3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
You can request a quote for 3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
Yes, KEHONG BIO provides custom synthesis services for 3-(allylsulfanyl)-6-(2-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.