4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde
TL;DR: 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde (CAS 695191-67-4) is a chemical compound with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzaldehyde
Also Known As: 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde, ZERO/005030, 4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzaldehyde, 3-nitro-4-(2-1,2,3,4-tetrahydroisoquinolyl)benzaldehyde, 4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzaldehyde
| Molecular Formula | C16H14N2O3 |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 2.97 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.10043 |
| Heavy Atoms | 21 |
| Complexity | 712.41833 |
Chemical Identifiers
| CAS Number | 695191-67-4 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C=O)[N+](=O)[O-] |
Product Overview
4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde (CAS 695191-67-4), with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzaldehyde.
Chemical Property Profile of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde
Property Insights of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde
The XLogP value of 2.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde. Following Lipinski's Rule of Five, 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde has 0 hydrogen bond donor(s) and 4 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-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde?
The CAS number of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde is 695191-67-4.
What is the molecular formula of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde?
The molecular formula of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde is C16H14N2O3.
What is the molecular weight of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde?
The molecular weight of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde is 282.10 g/mol.
Where can I buy 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde?
You can request a quote for 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.