N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide
TL;DR: N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide (CAS 302333-68-2) is a chemical compound with molecular formula C18H18N4O3 and molecular weight 338.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide
Also Known As: BAS 00329346, N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide, N'-(3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)-2-nitrobenzohydrazide, N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-2-nitrobenzohydrazide, 2-Nitro-benzoic acid N'-(3,3-dimethyl-3,4-dihydro-isoquinolin-1-yl)-hydrazide
| Molecular Formula | C18H18N4O3 |
|---|---|
| Molecular Weight | 338.14 g/mol |
| LogP | 2.6107 |
| Topological Polar Surface Area | 96.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.13788 |
| Heavy Atoms | 25 |
| Complexity | 874.1298 |
Chemical Identifiers
| CAS Number | 302333-68-2 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=N1)NNC(=O)C3=CC=CC=C3[N+](=O)[O-])C |
Product Overview
N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide (CAS 302333-68-2), with molecular formula C18H18N4O3 and molecular weight 338.14 g/mol. IUPAC: N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide.
Chemical Property Profile of N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide
Property Insights of N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide
The XLogP value of 2.6107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide. The TPSA of 96.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide. Following Lipinski's Rule of Five, N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide has 2 hydrogen bond donor(s) and 5 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'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide?
The CAS number of N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide is 302333-68-2.
What is the molecular formula of N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide?
The molecular formula of N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide is C18H18N4O3.
What is the molecular weight of N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide?
The molecular weight of N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide is 338.14 g/mol.
Where can I buy N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide?
You can request a quote for N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-2-nitrobenzohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.