3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)
TL;DR: 3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1) (CAS 57543-08-5) is a chemical compound with molecular formula C18H22BrNO2 and molecular weight 363.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Also Known As: 3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrobromide, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-3-BENZYL-6,7-DIMETHOXY-, HYDROBROMIDE, 3-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide, Isoquinoline, 3-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydro-, hydrobromide, 3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)
| Molecular Formula | C18H22BrNO2 |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | -1.06 |
| Topological Polar Surface Area | 35.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.0834 |
| Heavy Atoms | 22 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 57543-08-5 |
|---|---|
| SMILES | COC1=C(C=C2C[NH2+]C(CC2=C1)CC3=CC=CC=C3)OC.[Br-] |
| InChIKey | HTQKMKGTTGLMKF-UHFFFAOYSA-N |
Product Overview
3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1) (CAS 57543-08-5), with molecular formula C18H22BrNO2 and molecular weight 363.08 g/mol. IUPAC: 3-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide.
Chemical Property Profile of 3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)
Property Insights of 3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)
The XLogP value of -1.06 indicates that 3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--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 35.1 Ų, 3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--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-1,2,3,4-tetrahydroisoquinoline--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-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)?
The CAS number of 3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1) is 57543-08-5.
What is the molecular formula of 3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)?
The molecular formula of 3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1) is C18H22BrNO2.
What is the molecular weight of 3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)?
The molecular weight of 3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1) is 363.08 g/mol.
Where can I buy 3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)?
You can request a quote for 3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--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-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.