1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide
TL;DR: 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide (CAS 121745-82-2) is a chemical compound with molecular formula C13H10N4O and molecular weight 238.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxido-N-phenyl-1,2,4-benzotriazin-1-ium-3-amine
Also Known As: 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide, N-Phenyl-1,2,4-benzotriazin-3-amine 1-oxide, 1-oxido-N-phenyl-1,2,4-benzotriazin-1-ium-3-amine, 1-Oxo-N-phenyl-1lambda~5~,2,4-benzotriazin-3-amine
| Molecular Formula | C13H10N4O |
|---|---|
| Molecular Weight | 238.09 g/mol |
| LogP | 2.0068 |
| Topological Polar Surface Area | 64.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.08546 |
| Heavy Atoms | 18 |
| Complexity | 684.8959 |
Chemical Identifiers
| CAS Number | 121745-82-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC3=CC=CC=C3[N+](=N2)[O-] |
Product Overview
1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide (CAS 121745-82-2), with molecular formula C13H10N4O and molecular weight 238.09 g/mol. IUPAC: 1-oxido-N-phenyl-1,2,4-benzotriazin-1-ium-3-amine.
Chemical Property Profile of 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide
Property Insights of 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide
The XLogP value of 2.0068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide. The TPSA of 64.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide. Following Lipinski's Rule of Five, 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide 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-Benzotriazin-3-amine, N-phenyl-, 1-oxide?
The CAS number of 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide is 121745-82-2.
What is the molecular formula of 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide?
The molecular formula of 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide is C13H10N4O.
What is the molecular weight of 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide?
The molecular weight of 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide is 238.09 g/mol.
Where can I buy 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide?
You can request a quote for 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-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, N-phenyl-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzotriazin-3-amine, N-phenyl-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.