3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1)
TL;DR: 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1) (CAS 57543-06-3) is a chemical compound with molecular formula C18H20BrNO2 and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide
Also Known As: ISOQUINOLINE, 3,4-DIHYDRO-3-BENZYL-6,7-DIMETHOXY-, HYDROBROMIDE, 3-Benzyl-3,4-dihydro-6,7-dimethoxyisoquinoline hydrobromide, 3-benzyl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide, Isoquinoline, 3-benzyl-3,4-dihydro-6,7-dimethoxy-, hydrobromide, 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1)
| Molecular Formula | C18H20BrNO2 |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | -1.63 |
| Topological Polar Surface Area | 32.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.06775 |
| Heavy Atoms | 22 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 57543-06-3 |
|---|---|
| SMILES | COC1=C(C=C2C=[NH+]C(CC2=C1)CC3=CC=CC=C3)OC.[Br-] |
| InChIKey | KJWZFLSYQGCRDD-UHFFFAOYSA-N |
Product Overview
3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1) (CAS 57543-06-3), with molecular formula C18H20BrNO2 and molecular weight 361.07 g/mol. IUPAC: 3-benzyl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide.
Chemical Property Profile of 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1)
Property Insights of 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1)
The XLogP value of -1.63 indicates that 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1) 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, 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--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 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1)?
The CAS number of 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1) is 57543-06-3.
What is the molecular formula of 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1)?
The molecular formula of 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1) is C18H20BrNO2.
What is the molecular weight of 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1)?
The molecular weight of 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1) is 361.07 g/mol.
Where can I buy 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1)?
You can request a quote for 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--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 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.