3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide
TL;DR: 3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide (CAS 166182-17-8) is a chemical compound with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide
Also Known As: 3-Ethyl-1,2,4-benzotriazine 1,4-dioxide, J1.842.027I, 1,2,4-Benzotriazine, 3-ethyl-, 1,4-dioxide, 3-ethyl-1,2,4-benzotriazine-1,4-diium-1,4-bis(olate), 9-ethyl-7-oxido-7,8-diaza-10-azoniabicyclo[4.4.0]deca-1,3,5,8-tetraene 10-oxide
| Molecular Formula | C9H9N3O2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | 0.8591 |
| Topological Polar Surface Area | 63.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.06947 |
| Heavy Atoms | 14 |
| Complexity | 533.05835 |
Chemical Identifiers
| CAS Number | 166182-17-8 |
|---|---|
| SMILES | CCC1=NN(C2=CC=CC=C2[N+]1=O)[O-] |
Product Overview
3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide (CAS 166182-17-8), with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol. IUPAC: 3-ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide.
Chemical Property Profile of 3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide
Property Insights of 3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide
The XLogP value of 0.8591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide. The TPSA of 63.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide. Following Lipinski's Rule of Five, 3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide 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-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide?
The CAS number of 3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide is 166182-17-8.
What is the molecular formula of 3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide?
The molecular formula of 3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide is C9H9N3O2.
What is the molecular weight of 3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide?
The molecular weight of 3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide is 191.07 g/mol.
Where can I buy 3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide?
You can request a quote for 3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.