![3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane structure](/static/products/442/442644-41-9.png)
3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane
TL;DR: 3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane (CAS 442644-41-9) is a chemical compound with molecular formula C17H20N4OS and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propylsulfanylspiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclopentane]
Also Known As: 3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane, AN-655/15120306, 3-propylsulfanylspiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclopentane]
| Molecular Formula | C17H20N4OS |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 4.1153 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.13577 |
| Heavy Atoms | 23 |
| Complexity | 715.4896 |
Chemical Identifiers
| CAS Number | 442644-41-9 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=CC=CC=C3NC4(O2)CCCC4)N=N1 |
Product Overview
3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane (CAS 442644-41-9), with molecular formula C17H20N4OS and molecular weight 328.14 g/mol. IUPAC: 3-propylsulfanylspiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclopentane].
Chemical Property Profile of 3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane
Property Insights of 3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane
The XLogP value of 4.1153 indicates that 3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane 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-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane 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-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane?
The CAS number of 3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane is 442644-41-9.
What is the molecular formula of 3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane?
The molecular formula of 3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane is C17H20N4OS.
What is the molecular weight of 3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane?
The molecular weight of 3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane is 328.14 g/mol.
Where can I buy 3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane?
You can request a quote for 3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane?
Yes, KEHONG BIO provides custom synthesis services for 3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6-spiro-1-cyclopentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.