![3-(benzylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine structure](/static/products/3535/353517-48-3.webp)
3-(benzylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
TL;DR: 3-(benzylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine (CAS 353517-48-3) is a chemical compound with molecular formula C24H20N4OS and molecular weight 412.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-6-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: 3-(benzylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, AN-655/13300017, 3-benzylsulfanyl-6-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C24H20N4OS |
|---|---|
| Molecular Weight | 412.14 g/mol |
| LogP | 5.64242 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.13577 |
| Heavy Atoms | 30 |
| Complexity | 1165.4506 |
Chemical Identifiers
| CAS Number | 353517-48-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5 |
Product Overview
3-(benzylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine (CAS 353517-48-3), with molecular formula C24H20N4OS and molecular weight 412.14 g/mol. IUPAC: 3-benzylsulfanyl-6-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of 3-(benzylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Property Insights of 3-(benzylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
The XLogP value of 5.64242 indicates that 3-(benzylsulfanyl)-6-(4-methylphenyl)-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-(benzylsulfanyl)-6-(4-methylphenyl)-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-(benzylsulfanyl)-6-(4-methylphenyl)-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(benzylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The CAS number of 3-(benzylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine is 353517-48-3.
What is the molecular formula of 3-(benzylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The molecular formula of 3-(benzylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine is C24H20N4OS.
What is the molecular weight of 3-(benzylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The molecular weight of 3-(benzylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine is 412.14 g/mol.
Where can I buy 3-(benzylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
You can request a quote for 3-(benzylsulfanyl)-6-(4-methylphenyl)-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-(benzylsulfanyl)-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylsulfanyl)-6-(4-methylphenyl)-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.