Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide
TL;DR: Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide (CAS 32871-90-2) is a chemical compound with molecular formula C18H18BrNO2 and molecular weight 359.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-6,7-dimethoxyisoquinolin-2-ium bromide
Also Known As: 4-Benzyl-6,7-dimethoxyisoquinoline hydrobromide, 4-benzyl-6,7-dimethoxyisoquinolin-2-ium bromide, 4-Benzyl-6,7-dimethoxyisoquinolinium bromide, ISOQUINOLINE, 4-BENZYL-6,7-DIMETHOXY-, HYDROBROMIDE, Isoquinoline, 6,7-dimethoxy-4-(phenylmethyl)-, hydrobromide
| Molecular Formula | C18H18BrNO2 |
|---|---|
| Molecular Weight | 359.05 g/mol |
| LogP | 0.27 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.0521 |
| Heavy Atoms | 22 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 32871-90-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=[NH+]C=C2CC3=CC=CC=C3)OC.[Br-] |
| InChIKey | KRXNCFZFYWDIOA-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide (CAS 32871-90-2), with molecular formula C18H18BrNO2 and molecular weight 359.05 g/mol. IUPAC: 4-benzyl-6,7-dimethoxyisoquinolin-2-ium bromide.
Chemical Property Profile of Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide
Property Insights of Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide
The XLogP value of 0.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide. With a topological polar surface area (TPSA) of 32.6 Ų, Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide 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 Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide?
The CAS number of Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide is 32871-90-2.
What is the molecular formula of Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide?
The molecular formula of Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide is C18H18BrNO2.
What is the molecular weight of Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide?
The molecular weight of Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide is 359.05 g/mol.
Where can I buy Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide?
You can request a quote for Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.