N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
TL;DR: N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine (CAS 61785-61-3) is a chemical compound with molecular formula C14H20N4O4 and molecular weight 308.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
Also Known As: N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine, N,N-Dibutyl-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazol-7-amine, N,N-Dibutyl-7-nitro-3-oxo-2,1lambda~5~,3-benzoxadiazol-4-amine, N,N-DIBUTYL-5-NITRO-9-OXIDO-8-OXA-7-AZA-9-AZONIABICYCLO[4.3.0]NONA-2,4,6,9-TETRAEN-2-AMINE
| Molecular Formula | C14H20N4O4 |
|---|---|
| Molecular Weight | 308.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.14847 |
| Heavy Atoms | 22 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 61785-61-3 |
|---|---|
| SMILES | CCCCN(CCCC)C1=CC=C(C2=NO[N+](=C12)[O-])[N+](=O)[O-] |
| InChIKey | VEMLHYUDAJZTOY-UHFFFAOYSA-N |
Product Overview
N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine (CAS 61785-61-3), with molecular formula C14H20N4O4 and molecular weight 308.15 g/mol. IUPAC: N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine.
Chemical Property Profile of N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
Property Insights of N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
The XLogP value of 3.9 indicates that N,N-dibutyl-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 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine. Following Lipinski's Rule of Five, N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-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,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine?
The CAS number of N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine is 61785-61-3.
What is the molecular formula of N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine?
The molecular formula of N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine is C14H20N4O4.
What is the molecular weight of N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine?
The molecular weight of N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine is 308.15 g/mol.
Where can I buy N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine?
You can request a quote for N,N-dibutyl-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,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N,N-dibutyl-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.