1,2,4-Benzotriazin-3-amine 2-oxide
TL;DR: 1,2,4-Benzotriazin-3-amine 2-oxide (CAS 27238-43-3) 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.
2-hydroxy-1,2,4-benzotriazin-3-imine
Also Known As: 1,2,4-benzotriazin-3-amine 2-oxide, 3-amino-1,2,4-benzotriazine 2-oxide, 2-hydroxy-1,2,4-benzotriazin-3-imine, 3-aminobenzo[e]1,2,4-triazin-2-ol, (3e)-3-imino-1,2,4-benzotriazin-2(3h)-ol
| Molecular Formula | C7H6N4O |
|---|---|
| Molecular Weight | 162.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.05415 |
| Heavy Atoms | 12 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 27238-43-3 |
|---|---|
| SMILES | C1=CC2=NC(=N)N(N=C2C=C1)O |
| InChIKey | YMOOFVIWAQIKTB-UHFFFAOYSA-N |
Product Overview
1,2,4-Benzotriazin-3-amine 2-oxide (CAS 27238-43-3), with molecular formula C7H6N4O and molecular weight 162.05 g/mol. IUPAC: 2-hydroxy-1,2,4-benzotriazin-3-imine.
Chemical Property Profile of 1,2,4-Benzotriazin-3-amine 2-oxide
Property Insights of 1,2,4-Benzotriazin-3-amine 2-oxide
The XLogP value of -0.1 indicates that 1,2,4-Benzotriazin-3-amine 2-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Benzotriazin-3-amine 2-oxide. Following Lipinski's Rule of Five, 1,2,4-Benzotriazin-3-amine 2-oxide has 2 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 1,2,4-Benzotriazin-3-amine 2-oxide?
The CAS number of 1,2,4-Benzotriazin-3-amine 2-oxide is 27238-43-3.
What is the molecular formula of 1,2,4-Benzotriazin-3-amine 2-oxide?
The molecular formula of 1,2,4-Benzotriazin-3-amine 2-oxide is C7H6N4O.
What is the molecular weight of 1,2,4-Benzotriazin-3-amine 2-oxide?
The molecular weight of 1,2,4-Benzotriazin-3-amine 2-oxide is 162.05 g/mol.
Where can I buy 1,2,4-Benzotriazin-3-amine 2-oxide?
You can request a quote for 1,2,4-Benzotriazin-3-amine 2-oxide 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-Benzotriazin-3-amine 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzotriazin-3-amine 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.