N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine
TL;DR: N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine (CAS 489462-35-3) is a chemical compound with molecular formula C21H19N5O3 and molecular weight 389.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-N-benzyl-4-nitro-7-N-(2-phenylethyl)-2,1,3-benzoxadiazole-5,7-diamine
Also Known As: 5-N-benzyl-4-nitro-7-N-phenethyl-2,1,3-benzoxadiazole-5,7-diamine, N6-benzyl-7-nitro-N4-phenethylbenzo[c][1,2,5]oxadiazole-4,6-diamine, N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine
| Molecular Formula | C21H19N5O3 |
|---|---|
| Molecular Weight | 389.15 g/mol |
| LogP | 4.3977 |
| Topological Polar Surface Area | 106.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.1488 |
| Heavy Atoms | 29 |
| Complexity | 1113.3417 |
Chemical Identifiers
| CAS Number | 489462-35-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4 |
Product Overview
N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine (CAS 489462-35-3), with molecular formula C21H19N5O3 and molecular weight 389.15 g/mol. IUPAC: 5-N-benzyl-4-nitro-7-N-(2-phenylethyl)-2,1,3-benzoxadiazole-5,7-diamine.
Chemical Property Profile of N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine
Property Insights of N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine
The XLogP value of 4.3977 indicates that N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine. Following Lipinski's Rule of Five, N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine has 2 hydrogen bond donor(s) and 7 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~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine?
The CAS number of N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine is 489462-35-3.
What is the molecular formula of N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine?
The molecular formula of N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine is C21H19N5O3.
What is the molecular weight of N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine?
The molecular weight of N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine is 389.15 g/mol.
Where can I buy N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine?
You can request a quote for N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-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-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~6~-benzyl-7-nitro-N~4~-(2-phenylethyl)-2,1,3-benzoxadiazole-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.