![3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one structure](/static/products/4463/446308-71-0.webp)
3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one
TL;DR: 3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one (CAS 446308-71-0) is a chemical compound with molecular formula C17H12N4OS and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(quinolin-2-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one
Also Known As: 3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one, AF-399/25108088, 3-(quinolin-2-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one, F1045-0019, 3-[(2-quinolinylthio)methyl]-1,2,3-benzotriazin-4(3H)-one
| Molecular Formula | C17H12N4OS |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.07318 |
| Heavy Atoms | 23 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 446308-71-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)SCN3C(=O)C4=CC=CC=C4N=N3 |
| InChIKey | CMUMQGJOSPCTOZ-UHFFFAOYSA-N |
Product Overview
3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one (CAS 446308-71-0), with molecular formula C17H12N4OS and molecular weight 320.07 g/mol. IUPAC: 3-(quinolin-2-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one
Property Insights of 3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one
The XLogP value of 4.5 indicates that 3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one. Following Lipinski's Rule of Five, 3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one has 0 hydrogen bond donor(s) and 5 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-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one is 446308-71-0.
What is the molecular formula of 3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one is C17H12N4OS.
What is the molecular weight of 3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one is 320.07 g/mol.
Where can I buy 3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(quinolin-2-ylsulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.