4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1)
TL;DR: 4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1) (CAS 32872-00-7) is a chemical compound with molecular formula C18H17BrClNO2 and molecular weight 393.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium bromide
Also Known As: Sid 177794, 4-(p-Chlorobenzyl)-6,7-dimethoxyisoquinoline hydrobromide, Dimethoxy-6,7 para-chlorobenzyl-4 isoquinoleine bromhydrate, Dimethoxy-6,7 para-chlorobenzyl-4 isoquinoleine bromhydrate [French], ISOQUINOLINE, 4-(p-CHLOROBENZYL)-6,7-DIMETHOXY-, HYDROBROMIDE
| Molecular Formula | C18H17BrClNO2 |
|---|---|
| Molecular Weight | 393.01 g/mol |
| LogP | 0.92 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.01312 |
| Heavy Atoms | 23 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 32872-00-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=[NH+]C=C2CC3=CC=C(C=C3)Cl)OC.[Br-] |
| InChIKey | LZLBVYNYYWAWKE-UHFFFAOYSA-N |
Product Overview
4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1) (CAS 32872-00-7), with molecular formula C18H17BrClNO2 and molecular weight 393.01 g/mol. IUPAC: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium bromide.
Chemical Property Profile of 4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1)
Property Insights of 4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1)
The XLogP value of 0.92 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1). With a topological polar surface area (TPSA) of 32.6 Ų, 4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1) 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 4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1)?
The CAS number of 4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1) is 32872-00-7.
What is the molecular formula of 4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1)?
The molecular formula of 4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1) is C18H17BrClNO2.
What is the molecular weight of 4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1)?
The molecular weight of 4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1) is 393.01 g/mol.
Where can I buy 4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1)?
You can request a quote for 4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Chlorophenyl)methyl)-6,7-dimethoxyisoquinoline--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.