7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine
TL;DR: 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine (CAS 61785-65-7) is a chemical compound with molecular formula C13H11N5O4 and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine
Also Known As: 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine, 4-Nitro-1-oxo-N-[2-(pyridin-2-yl)ethyl]-2,1lambda~5~,3-benzoxadiazol-7-amine, 7-Nitro-3-oxo-N-[2-(pyridin-2-yl)ethyl]-2,1lambda~5~,3-benzoxadiazol-4-amine
| Molecular Formula | C13H11N5O4 |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.08112 |
| Heavy Atoms | 22 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 61785-65-7 |
|---|---|
| SMILES | C1=CC=NC(=C1)CCNC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-] |
| InChIKey | TZHLMPOJTKBPGI-UHFFFAOYSA-N |
Product Overview
7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine (CAS 61785-65-7), with molecular formula C13H11N5O4 and molecular weight 301.08 g/mol. IUPAC: 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine.
Chemical Property Profile of 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine
Property Insights of 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine. Following Lipinski's Rule of Five, 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine has 1 hydrogen bond donor(s) and 7 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 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine?
The CAS number of 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine is 61785-65-7.
What is the molecular formula of 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine?
The molecular formula of 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine is C13H11N5O4.
What is the molecular weight of 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine?
The molecular weight of 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine is 301.08 g/mol.
Where can I buy 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine?
You can request a quote for 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 7-nitro-3-oxido-N-(2-pyridin-2-ylethyl)-2,1,3-benzoxadiazol-3-ium-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.