N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
TL;DR: N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine (CAS 18378-03-5) 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-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
Also Known As: N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine, N-Benzyl-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazol-7-amine
| Molecular Formula | C13H10N4O4 |
|---|---|
| Molecular Weight | 286.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.0702 |
| Heavy Atoms | 21 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 18378-03-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-] |
| InChIKey | XCIHAKVRVDHBRE-UHFFFAOYSA-N |
Product Overview
N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine (CAS 18378-03-5), with molecular formula C13H10N4O4 and molecular weight 286.07 g/mol. IUPAC: N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine.
Chemical Property Profile of N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
Property Insights of N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
The XLogP value of 3.3 indicates that N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine. Following Lipinski's Rule of Five, N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-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-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine?
The CAS number of N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine is 18378-03-5.
What is the molecular formula of N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine?
The molecular formula of N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine is C13H10N4O4.
What is the molecular weight of N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine?
The molecular weight of N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine is 286.07 g/mol.
Where can I buy N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine?
You can request a quote for N-benzyl-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-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-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.