5-((o-Chlorobenzylidene)amino)isoquinoline
TL;DR: 5-((o-Chlorobenzylidene)amino)isoquinoline (CAS 34616-48-3) is a chemical compound with molecular formula C16H11ClN2 and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-N-isoquinolin-5-ylmethanimine
Also Known As: 5-((o-Chlorobenzylidene)amino)isoquinoline, 5-((2-Chlorobenzylidene)amino)isoquinoline, 5-((2-Chlorobenzylidine)-amino)-isoquinoline, ISOQUINOLINE, 5-((o-CHLOROBENZYLIDENE)AMINO)-, 5-[(o-Chlorobenzylidene)amino]isoquinoline
| Molecular Formula | C16H11ClN2 |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.06107 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 34616-48-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NC2=CC=CC3=C2C=CN=C3)Cl |
| InChIKey | KDKDBZMUBVICPQ-UHFFFAOYSA-N |
Product Overview
5-((o-Chlorobenzylidene)amino)isoquinoline (CAS 34616-48-3), with molecular formula C16H11ClN2 and molecular weight 266.06 g/mol. IUPAC: 1-(2-chlorophenyl)-N-isoquinolin-5-ylmethanimine.
Chemical Property Profile of 5-((o-Chlorobenzylidene)amino)isoquinoline
Property Insights of 5-((o-Chlorobenzylidene)amino)isoquinoline
The XLogP value of 4.0 indicates that 5-((o-Chlorobenzylidene)amino)isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 5-((o-Chlorobenzylidene)amino)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((o-Chlorobenzylidene)amino)isoquinoline has 0 hydrogen bond donor(s) and 2 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 5-((o-Chlorobenzylidene)amino)isoquinoline?
The CAS number of 5-((o-Chlorobenzylidene)amino)isoquinoline is 34616-48-3.
What is the molecular formula of 5-((o-Chlorobenzylidene)amino)isoquinoline?
The molecular formula of 5-((o-Chlorobenzylidene)amino)isoquinoline is C16H11ClN2.
What is the molecular weight of 5-((o-Chlorobenzylidene)amino)isoquinoline?
The molecular weight of 5-((o-Chlorobenzylidene)amino)isoquinoline is 266.06 g/mol.
Where can I buy 5-((o-Chlorobenzylidene)amino)isoquinoline?
You can request a quote for 5-((o-Chlorobenzylidene)amino)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((o-Chlorobenzylidene)amino)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 5-((o-Chlorobenzylidene)amino)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.