1,2,4-苯并三嗪-3-胺-1-氧化物
TL;DR: 1,2,4-苯并三嗪-3-胺-1-氧化物 (CAS 5424-06-6) is a chemical compound with molecular formula C7H6N4O and molecular weight 162.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-苯并三嗪-3-胺-1-氧化物
1-oxido-1,2,4-benzotriazin-1-ium-3-amine
Also Known As: 1,2,4-Benzotriazin-3-amine 1-oxide, 3-AMINO-1,2,4-BENZOTRIAZINE-1-N-OXIDE, 3-Amino-1,2,4-benzotriazine-1-oxide, 3-aminobenzo[e][1,2,4]triazine 1-oxide, LIBRARION L506
| Molecular Formula | C7H6N4O |
|---|---|
| Molecular Weight | 162.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.05415 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 5424-06-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N=[N+]2[O-])N |
| InChIKey | BBRWGJRKAHEZBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-苯并三嗪-3-胺-1-氧化物 (CAS 5424-06-6), with molecular formula C7H6N4O and molecular weight 162.05 g/mol. IUPAC: 1-oxido-1,2,4-benzotriazin-1-ium-3-amine.
Chemical Property Profile of 1,2,4-苯并三嗪-3-胺-1-氧化物
Property Insights of 1,2,4-苯并三嗪-3-胺-1-氧化物
The XLogP value of -0.1 indicates that 1,2,4-苯并三嗪-3-胺-1-氧化物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-苯并三嗪-3-胺-1-氧化物. Following Lipinski's Rule of Five, 1,2,4-苯并三嗪-3-胺-1-氧化物 has 1 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 1,2,4-苯并三嗪-3-胺-1-氧化物?
The CAS number of 1,2,4-苯并三嗪-3-胺-1-氧化物 is 5424-06-6.
What is the molecular formula of 1,2,4-苯并三嗪-3-胺-1-氧化物?
The molecular formula of 1,2,4-苯并三嗪-3-胺-1-氧化物 is C7H6N4O.
What is the molecular weight of 1,2,4-苯并三嗪-3-胺-1-氧化物?
The molecular weight of 1,2,4-苯并三嗪-3-胺-1-氧化物 is 162.05 g/mol.
Where can I buy 1,2,4-苯并三嗪-3-胺-1-氧化物?
You can request a quote for 1,2,4-苯并三嗪-3-胺-1-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-苯并三嗪-3-胺-1-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-苯并三嗪-3-胺-1-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.