RefChem:1053637
TL;DR: RefChem:1053637 (CAS 57543-00-7) is a chemical compound with molecular formula C20H24BrNO4 and molecular weight 421.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide
Also Known As: Sid 182960, 3,4-Dihydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrobromide, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide, ISOQUINOLINE, 3,4-DIHYDRO-6,7-DIMETHOXY-1-(3,4-DIMETHOXYBENZYL)-, HYDROBROMIDE, Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-, hydrobromide
| Molecular Formula | C20H24BrNO4 |
|---|---|
| Molecular Weight | 421.09 g/mol |
| LogP | -1.61 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.08887 |
| Heavy Atoms | 26 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 57543-00-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=[NH+]CCC3=CC(=C(C=C32)OC)OC)OC.[Br-] |
| InChIKey | JEMWDQUZUKAGKZ-UHFFFAOYSA-N |
Product Overview
RefChem:1053637 (CAS 57543-00-7), with molecular formula C20H24BrNO4 and molecular weight 421.09 g/mol. IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide.
Chemical Property Profile of RefChem:1053637
Property Insights of RefChem:1053637
The XLogP value of -1.61 indicates that RefChem:1053637 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.9 Ų, RefChem:1053637 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1053637 has 1 hydrogen bond donor(s) and 5 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 RefChem:1053637?
The CAS number of RefChem:1053637 is 57543-00-7.
What is the molecular formula of RefChem:1053637?
The molecular formula of RefChem:1053637 is C20H24BrNO4.
What is the molecular weight of RefChem:1053637?
The molecular weight of RefChem:1053637 is 421.09 g/mol.
Where can I buy RefChem:1053637?
You can request a quote for RefChem:1053637 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053637?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053637 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.