N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine
TL;DR: N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine (CAS 26944-69-4) is a chemical compound with molecular formula C13H9N5O2 and molecular weight 267.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine
Also Known As: n-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine, benzo[1,2,3]triazin-4-yl-(3-nitro-phenyl)-amine, N-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3H)-imine
| Molecular Formula | C13H9N5O2 |
|---|---|
| Molecular Weight | 267.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.07562 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 26944-69-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN=N2)NC3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | TZKKDNOXLBRFSQ-UHFFFAOYSA-N |
Product Overview
N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine (CAS 26944-69-4), with molecular formula C13H9N5O2 and molecular weight 267.08 g/mol. IUPAC: N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine.
Chemical Property Profile of N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine
Property Insights of N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine. Following Lipinski's Rule of Five, N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine has 1 hydrogen bond donor(s) and 6 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 N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine?
The CAS number of N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine is 26944-69-4.
What is the molecular formula of N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine?
The molecular formula of N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine is C13H9N5O2.
What is the molecular weight of N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine?
The molecular weight of N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine is 267.08 g/mol.
Where can I buy N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine?
You can request a quote for N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-nitrophenyl)-1,2,3-benzotriazin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.