4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one
TL;DR: 4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one (CAS 101421-08-3) is a chemical compound with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one
Also Known As: 4-methyl-1,2,4-benzotriazin-3(4h)-one 1-oxide, 4-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one, 4-methyl-1-oxy-4H-benzo[e][1,2,4]triazin-3-one, 3-Oxo-4-methyl-3,4-dihydro-1,2,4-benzotriazine 1-oxide, 4-methyl-3-oxo-3,4-dihydro-1,2,4-benzotriazin-1-ium-1-olate
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 101421-08-3 |
|---|---|
| SMILES | CN1C2=CC=CC=C2[N+](=NC1=O)[O-] |
| InChIKey | WGIXBLNDGARVHQ-UHFFFAOYSA-N |
Product Overview
4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one (CAS 101421-08-3), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: 4-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one.
Chemical Property Profile of 4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one
Property Insights of 4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one. Following Lipinski's Rule of Five, 4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one has 0 hydrogen bond donor(s) and 2 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 4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one?
The CAS number of 4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one is 101421-08-3.
What is the molecular formula of 4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one?
The molecular formula of 4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one is C8H7N3O2.
What is the molecular weight of 4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one?
The molecular weight of 4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one is 177.05 g/mol.
Where can I buy 4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one?
You can request a quote for 4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.