4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone
TL;DR: 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone (CAS 244608-53-5) is a chemical compound with molecular formula C18H18N4O2 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]-4H-isoquinolin-1-amine
Also Known As: BAS 00470506, J1.130.745K, 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone, (Z)-3,3-dimethyl-1-((E)-(4-nitrobenzylidene)hydrazono)-1,2,3,4-tetrahydroisoquinoline, 3,3-Dimethyl-1-[2-(4-nitrobenzylidene)hydrazono]-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C18H18N4O2 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 3.2998 |
| Topological Polar Surface Area | 79.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.14297 |
| Heavy Atoms | 24 |
| Complexity | 823.16736 |
Chemical Identifiers
| CAS Number | 244608-53-5 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=N1)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])C |
Product Overview
4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone (CAS 244608-53-5), with molecular formula C18H18N4O2 and molecular weight 322.14 g/mol. IUPAC: 3,3-dimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]-4H-isoquinolin-1-amine.
Chemical Property Profile of 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone
Property Insights of 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone
The XLogP value of 3.2998 indicates that 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone. Following Lipinski's Rule of Five, 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone has 1 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 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone?
The CAS number of 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone is 244608-53-5.
What is the molecular formula of 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone?
The molecular formula of 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone is C18H18N4O2.
What is the molecular weight of 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone?
The molecular weight of 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone is 322.14 g/mol.
Where can I buy 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone?
You can request a quote for 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone?
Yes, KEHONG BIO provides custom synthesis services for 4-nitrobenzaldehyde (3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)hydrazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.