3-Methylbenzotriazin-4-one
TL;DR: 3-Methylbenzotriazin-4-one (CAS 22305-44-8) is a chemical compound with molecular formula C8H7N3O and molecular weight 161.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,2,3-benzotriazin-4-one
Also Known As: 3-Methylbenzotriazinone, 3-Methylbenzotriazin-4-one, 3-Methyl-1,2,3-benzotriazin-4(3H)-one, 3-Methyl-benzotriazin-4-one, 3-methyl-1,2,3-benzotriazin-4-one
| Molecular Formula | C8H7N3O |
|---|---|
| Molecular Weight | 161.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 45.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.05891 |
| Heavy Atoms | 12 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 22305-44-8 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2N=N1 |
| InChIKey | AULPOPGFJIOHMZ-UHFFFAOYSA-N |
Product Overview
3-Methylbenzotriazin-4-one (CAS 22305-44-8), with molecular formula C8H7N3O and molecular weight 161.06 g/mol. IUPAC: 3-methyl-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-Methylbenzotriazin-4-one
Property Insights of 3-Methylbenzotriazin-4-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbenzotriazin-4-one. With a topological polar surface area (TPSA) of 45.0 Ų, 3-Methylbenzotriazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbenzotriazin-4-one has 0 hydrogen bond donor(s) and 3 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-Methylbenzotriazin-4-one?
The CAS number of 3-Methylbenzotriazin-4-one is 22305-44-8.
What is the molecular formula of 3-Methylbenzotriazin-4-one?
The molecular formula of 3-Methylbenzotriazin-4-one is C8H7N3O.
What is the molecular weight of 3-Methylbenzotriazin-4-one?
The molecular weight of 3-Methylbenzotriazin-4-one is 161.06 g/mol.
Where can I buy 3-Methylbenzotriazin-4-one?
You can request a quote for 3-Methylbenzotriazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbenzotriazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbenzotriazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.