N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine
TL;DR: N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine (CAS 61785-58-8) is a chemical compound with molecular formula C13H10N4O4 and molecular weight 286.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine
Also Known As: N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine, N-Methyl-5-nitro-1-oxo-N-phenyl-2,1lambda~5~,3-benzoxadiazol-6-amine, N-Methyl-6-nitro-3-oxo-N-phenyl-2,1lambda~5~,3-benzoxadiazol-5-amine, N-METHYL-4-NITRO-9-OXIDO-N-PHENYL-8-OXA-7-AZA-9-AZONIABICYCLO[4.3.0]NONA-2,4,6,9-TETRAEN-3-AMINE
| Molecular Formula | C13H10N4O4 |
|---|---|
| Molecular Weight | 286.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.0702 |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 61785-58-8 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C2=CC3=[N+](ON=C3C=C2[N+](=O)[O-])[O-] |
| InChIKey | RVNWWWATGNSNGH-UHFFFAOYSA-N |
Product Overview
N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine (CAS 61785-58-8), with molecular formula C13H10N4O4 and molecular weight 286.07 g/mol. IUPAC: N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine.
Chemical Property Profile of N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine
Property Insights of N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine. Following Lipinski's Rule of Five, N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine has 0 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-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine?
The CAS number of N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine is 61785-58-8.
What is the molecular formula of N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine?
The molecular formula of N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine is C13H10N4O4.
What is the molecular weight of N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine?
The molecular weight of N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine is 286.07 g/mol.
Where can I buy N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine?
You can request a quote for N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-6-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.