N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
TL;DR: N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 497077-89-1) is a chemical compound with molecular formula C22H19N5O3 and molecular weight 401.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Also Known As: Benzyl-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-benzo[1,2,5]oxadiazol-5-yl]-amine, N-benzyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine, N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine, N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine
| Molecular Formula | C22H19N5O3 |
|---|---|
| Molecular Weight | 401.15 g/mol |
| LogP | 4.3058 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.1488 |
| Heavy Atoms | 30 |
| Complexity | 1222.1654 |
Chemical Identifiers
| CAS Number | 497077-89-1 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCC5=CC=CC=C5 |
Product Overview
N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 497077-89-1), with molecular formula C22H19N5O3 and molecular weight 401.15 g/mol. IUPAC: N-benzyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Property Insights of N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
The XLogP value of 4.3058 indicates that N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine 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-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine. Following Lipinski's Rule of Five, N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine has 1 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-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The CAS number of N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is 497077-89-1.
What is the molecular formula of N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular formula of N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is C22H19N5O3.
What is the molecular weight of N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular weight of N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is 401.15 g/mol.
Where can I buy N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
You can request a quote for N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-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-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-7-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.