N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
TL;DR: N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine (CAS 488840-90-0) is a chemical compound with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-N-benzyl-7-N,7-N-dibutyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine
Also Known As: 5-N-benzyl-7-N,7-N-dibutyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine, N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine, N6-benzyl-N4,N4-dibutyl-7-nitrobenzo[c][1,2,5]oxadiazole-4,6-diamine
| Molecular Formula | C21H27N5O3 |
|---|---|
| Molecular Weight | 397.21 g/mol |
| LogP | 5.1497 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 397.2114 |
| Heavy Atoms | 29 |
| Complexity | 934.1445 |
Chemical Identifiers
| CAS Number | 488840-90-0 |
|---|---|
| SMILES | CCCCN(CCCC)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCC3=CC=CC=C3 |
Product Overview
N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine (CAS 488840-90-0), with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol. IUPAC: 5-N-benzyl-7-N,7-N-dibutyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine.
Chemical Property Profile of N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
Property Insights of N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine
The XLogP value of 5.1497 indicates that N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine. Following Lipinski's Rule of Five, N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine?
The CAS number of N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine is 488840-90-0.
What is the molecular formula of N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine?
The molecular formula of N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine is C21H27N5O3.
What is the molecular weight of N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine?
The molecular weight of N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine is 397.21 g/mol.
Where can I buy N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine?
You can request a quote for N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~6~-benzyl-N~4~,N~4~-dibutyl-7-nitro-2,1,3-benzoxadiazole-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.