Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide
TL;DR: Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide (CAS 62334-28-5) is a chemical compound with molecular formula C20H21BrClNO2 and molecular weight 421.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methyl]-1-ethyl-6,7-dimethoxyisoquinolin-2-ium bromide
Also Known As: 4-(p-Chlorobenzyl)-6,7-dimethoxy-1-ethylisoquinoline hydrobromide, Dimethoxy-6,7 ethyl-1 para-chlorobenzyl-4 isoquinoleine bromhydrate [French], Dimethoxy-6,7 ethyl-1 para-chlorobenzyl-4 isoquinoleine bromhydrate, ISOQUINOLINE, 4-(p-CHLOROBENZYL)-6,7-DIMETHOXY-1-ETHYL-, HYDROBROMIDE, 4-(4-chlorobenzyl)-1-ethyl-6,7-dimethoxyisoquinolinium bromide
| Molecular Formula | C20H21BrClNO2 |
|---|---|
| Molecular Weight | 421.04 g/mol |
| LogP | 1.48 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.04443 |
| Heavy Atoms | 25 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 62334-28-5 |
|---|---|
| SMILES | CCC1=[NH+]C=C(C2=CC(=C(C=C21)OC)OC)CC3=CC=C(C=C3)Cl.[Br-] |
| InChIKey | NMHCHTCVEYCSRL-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide (CAS 62334-28-5), with molecular formula C20H21BrClNO2 and molecular weight 421.04 g/mol. IUPAC: 4-[(4-chlorophenyl)methyl]-1-ethyl-6,7-dimethoxyisoquinolin-2-ium bromide.
Chemical Property Profile of Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide
Property Insights of Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide
The XLogP value of 1.48 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide. With a topological polar surface area (TPSA) of 32.6 Ų, Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide has 1 hydrogen bond donor(s) and 3 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 Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide?
The CAS number of Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide is 62334-28-5.
What is the molecular formula of Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide?
The molecular formula of Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide is C20H21BrClNO2.
What is the molecular weight of Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide?
The molecular weight of Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide is 421.04 g/mol.
Where can I buy Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide?
You can request a quote for Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.