N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
TL;DR: N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 489396-91-0) is a chemical compound with molecular formula C18H20N6O3 and molecular weight 368.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Also Known As: N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine, N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine
| Molecular Formula | C18H20N6O3 |
|---|---|
| Molecular Weight | 368.16 g/mol |
| LogP | 2.4949 |
| Topological Polar Surface Area | 100.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.1597 |
| Heavy Atoms | 27 |
| Complexity | 950.3903 |
Chemical Identifiers
| CAS Number | 489396-91-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4 |
Product Overview
N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 489396-91-0), with molecular formula C18H20N6O3 and molecular weight 368.16 g/mol. IUPAC: N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Property Insights of N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
The XLogP value of 2.4949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine. The TPSA of 100.57 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine. Following Lipinski's Rule of Five, N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine has 1 hydrogen bond donor(s) and 8 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-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The CAS number of N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is 489396-91-0.
What is the molecular formula of N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular formula of N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is C18H20N6O3.
What is the molecular weight of N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular weight of N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is 368.16 g/mol.
Where can I buy N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
You can request a quote for N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-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-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-7-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.