Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide
TL;DR: Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide (CAS 61189-97-7) is a chemical compound with molecular formula C19H19BrClNO3 and molecular weight 423.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyisoquinolin-2-ium bromide
Also Known As: 4-(p-Chlorobenzyl)-5,6,7-trimethoxyisoquinoline hydrobromide, ISOQUINOLINE, 4-(p-CHLOROBENZYL)-5,6,7-TRIMETHOXY-, HYDROBROMIDE, 4-(4-Chlorobenzyl)-6,7,8-trimethoxyisoquinolinium bromide, 4-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyisoquinolin-2-ium bromide, Isoquinoline, 4-[(4-chlorophenyl)methyl]-5,6,7-trimethoxy-, hydrobromide
| Molecular Formula | C19H19BrClNO3 |
|---|---|
| Molecular Weight | 423.02 g/mol |
| LogP | 0.93 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.02368 |
| Heavy Atoms | 25 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 61189-97-7 |
|---|---|
| SMILES | COC1=C(C(=C2C=[NH+]C=C(C2=C1)CC3=CC=C(C=C3)Cl)OC)OC.[Br-] |
| InChIKey | GXXOQDZFIZORAO-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide (CAS 61189-97-7), with molecular formula C19H19BrClNO3 and molecular weight 423.02 g/mol. IUPAC: 4-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyisoquinolin-2-ium bromide.
Chemical Property Profile of Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide
Property Insights of Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide
The XLogP value of 0.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide. With a topological polar surface area (TPSA) of 41.8 Ų, Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide has 1 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 Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide?
The CAS number of Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide is 61189-97-7.
What is the molecular formula of Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide?
The molecular formula of Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide is C19H19BrClNO3.
What is the molecular weight of Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide?
The molecular weight of Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide is 423.02 g/mol.
Where can I buy Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide?
You can request a quote for Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, 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)-5,6,7-trimethoxy-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.