RefChem:350014
TL;DR: RefChem:350014 (CAS 57543-34-7) is a chemical compound with molecular formula C19H21BrClNO2 and molecular weight 409.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2-ium bromide
Also Known As: Isoquinoline, 3,4-dihydro-3-(o-chlorobenzyl)-6,7-dimethoxy-1-methyl-, hydrobromide, 3-(o-Chlorobenzyl)-3,4-dihydro-6,7-dimethoxy-1-methylisoquinoline hydrobromide, Isoquinoline, 3-(o-chlorobenzyl)-3,4-dihydro-6,7-dimethoxy-1-methyl-, hydrobromide, 3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2-ium bromide, Isoquinoline, 3-[(2-chlorophenyl)methyl]-3,4-dihydro-6,7-dimethoxy-1-methyl-, hydrobromide
| Molecular Formula | C19H21BrClNO2 |
|---|---|
| Molecular Weight | 409.04 g/mol |
| LogP | -0.58 |
| Topological Polar Surface Area | 32.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.04443 |
| Heavy Atoms | 24 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 57543-34-7 |
|---|---|
| SMILES | CC1=[NH+]C(CC2=CC(=C(C=C12)OC)OC)CC3=CC=CC=C3Cl.[Br-] |
| InChIKey | IGVBLOYYYISMEA-UHFFFAOYSA-N |
Product Overview
RefChem:350014 (CAS 57543-34-7), with molecular formula C19H21BrClNO2 and molecular weight 409.04 g/mol. IUPAC: 3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2-ium bromide.
Chemical Property Profile of RefChem:350014
Property Insights of RefChem:350014
The XLogP value of -0.58 indicates that RefChem:350014 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.4 Ų, RefChem:350014 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:350014 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 RefChem:350014?
The CAS number of RefChem:350014 is 57543-34-7.
What is the molecular formula of RefChem:350014?
The molecular formula of RefChem:350014 is C19H21BrClNO2.
What is the molecular weight of RefChem:350014?
The molecular weight of RefChem:350014 is 409.04 g/mol.
Where can I buy RefChem:350014?
You can request a quote for RefChem:350014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350014?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.