3-Ethyl-benzotriazin-4-one
TL;DR: 3-Ethyl-benzotriazin-4-one (CAS 26944-60-5) is a chemical compound with molecular formula C9H9N3O and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1,2,3-benzotriazin-4-one
Also Known As: 3-Ethyl-benzotriazin-4-one, 3-ethyl-1,2,3-benzotriazin-4-one, 3-Ethylbenzo[d][1,2,3]triazin-4(3h)-one, 3-Ethyl-1,2,3-benzotriazin-4(3H)-one, 3-Ethyl-1,2,3-benzotriazin-4(3H)-one #
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 45.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 26944-60-5 |
|---|---|
| SMILES | CCN1C(=O)C2=CC=CC=C2N=N1 |
| InChIKey | JWPPRPLIXXOWEL-UHFFFAOYSA-N |
Product Overview
3-Ethyl-benzotriazin-4-one (CAS 26944-60-5), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: 3-ethyl-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-Ethyl-benzotriazin-4-one
Property Insights of 3-Ethyl-benzotriazin-4-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-benzotriazin-4-one. With a topological polar surface area (TPSA) of 45.0 Ų, 3-Ethyl-benzotriazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-benzotriazin-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-Ethyl-benzotriazin-4-one?
The CAS number of 3-Ethyl-benzotriazin-4-one is 26944-60-5.
What is the molecular formula of 3-Ethyl-benzotriazin-4-one?
The molecular formula of 3-Ethyl-benzotriazin-4-one is C9H9N3O.
What is the molecular weight of 3-Ethyl-benzotriazin-4-one?
The molecular weight of 3-Ethyl-benzotriazin-4-one is 175.07 g/mol.
Where can I buy 3-Ethyl-benzotriazin-4-one?
You can request a quote for 3-Ethyl-benzotriazin-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-Ethyl-benzotriazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-benzotriazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.