3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium
TL;DR: 3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium (CAS 99857-19-9) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butoxy-1-oxido-1,2,4-benzotriazin-1-ium
Also Known As: 3-butoxy-1,2,4-benzotriazine 1-oxide, 3-butoxy-benzo[e][1,2,4]triazine-1-oxide, 3-butoxy-1-oxido-1,2,4-benzotriazin-1-ium
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 99857-19-9 |
|---|---|
| SMILES | CCCCOC1=NC2=CC=CC=C2[N+](=N1)[O-] |
| InChIKey | VMZDTMXGANHCJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium (CAS 99857-19-9), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: 3-butoxy-1-oxido-1,2,4-benzotriazin-1-ium.
Chemical Property Profile of 3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium
Property Insights of 3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium. Following Lipinski's Rule of Five, 3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium has 0 hydrogen bond donor(s) and 4 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-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium?
The CAS number of 3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium is 99857-19-9.
What is the molecular formula of 3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium?
The molecular formula of 3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium is C11H13N3O2.
What is the molecular weight of 3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium?
The molecular weight of 3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium is 219.10 g/mol.
Where can I buy 3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium?
You can request a quote for 3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 3-Butoxy-1-oxido-1,2,4-benzotriazin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.