1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline
TL;DR: 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline (CAS 62334-31-0) is a chemical compound with molecular formula C25H22ClNO2 and molecular weight 403.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-[(4-chlorophenyl)methyl]-6,7-dimethoxyisoquinoline
Also Known As: 1-benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline, 1-benzyl-4-[(4-chlorophenyl)methyl]-6,7-dimethoxyisoquinoline, 1-benzyl-4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-isoquinoline, Isoquinoline, 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-(phenylmethyl)-
| Molecular Formula | C25H22ClNO2 |
|---|---|
| Molecular Weight | 403.13 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.1339 |
| Heavy Atoms | 29 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 62334-31-0 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=CN=C2CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl)OC |
| InChIKey | QFSYPUUAQODKGQ-UHFFFAOYSA-N |
Product Overview
1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline (CAS 62334-31-0), with molecular formula C25H22ClNO2 and molecular weight 403.13 g/mol. IUPAC: 1-benzyl-4-[(4-chlorophenyl)methyl]-6,7-dimethoxyisoquinoline.
Chemical Property Profile of 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline
Property Insights of 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline
The XLogP value of 6.6 indicates that 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline?
The CAS number of 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline is 62334-31-0.
What is the molecular formula of 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline?
The molecular formula of 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline is C25H22ClNO2.
What is the molecular weight of 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline?
The molecular weight of 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline is 403.13 g/mol.
Where can I buy 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline?
You can request a quote for 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-(4-chlorobenzyl)-6,7-dimethoxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.