N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
TL;DR: N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine (CAS 61785-60-2) is a chemical compound with molecular formula C13H18N4O6 and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
Also Known As: N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine, N-(2,2-Diethoxyethyl)-N-methyl-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazol-7-amine
| Molecular Formula | C13H18N4O6 |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.12262 |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 61785-60-2 |
|---|---|
| SMILES | CCOC(CN(C)C1=CC=C(C2=NO[N+](=C12)[O-])[N+](=O)[O-])OCC |
| InChIKey | DWGWLHHADSAPLH-UHFFFAOYSA-N |
Product Overview
N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine (CAS 61785-60-2), with molecular formula C13H18N4O6 and molecular weight 326.12 g/mol. IUPAC: N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine.
Chemical Property Profile of N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
Property Insights of N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine. Following Lipinski's Rule of Five, N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine has 0 hydrogen bond donor(s) and 8 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-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine?
The CAS number of N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine is 61785-60-2.
What is the molecular formula of N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine?
The molecular formula of N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine is C13H18N4O6.
What is the molecular weight of N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine?
The molecular weight of N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine is 326.12 g/mol.
Where can I buy N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine?
You can request a quote for N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-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 N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2-diethoxyethyl)-N-methyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.