RefChem:1078165
TL;DR: RefChem:1078165 (CAS 74195-72-5) is a chemical compound with molecular formula C20H23BrN2O2 and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(6,7-dimethoxyisoquinolin-4-yl)methyl]phenyl]-dimethylazanium bromide
Also Known As: 6,7-Dimethoxy-4-(p-(dimethylamino)benzyl)isoquinoline hydrobromide, ISOQUINOLINE, 6,7-DIMETHOXY-4-(p-(DIMETHYLAMINO)BENZYL)-, HYDROBROMIDE, [4-[(6,7-Dimethoxyisoquinolin-4-yl)methyl]phenyl]-dimethylazaniumbromide, [4-[(6,7-dimethoxyisoquinolin-4-yl)methyl]phenyl]-dimethylazanium bromide, Benzenamine, 4-((6,7-dimethoxy-4-isoquinolinyl)methyl)-N,N-dimethyl-, hydrobromide (1:1)
| Molecular Formula | C20H23BrN2O2 |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | -0.38 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.0943 |
| Heavy Atoms | 25 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 74195-72-5 |
|---|---|
| SMILES | C[NH+](C)C1=CC=C(C=C1)CC2=CN=CC3=CC(=C(C=C32)OC)OC.[Br-] |
| InChIKey | KTXXIELLFWHMPE-UHFFFAOYSA-N |
Product Overview
RefChem:1078165 (CAS 74195-72-5), with molecular formula C20H23BrN2O2 and molecular weight 402.09 g/mol. IUPAC: [4-[(6,7-dimethoxyisoquinolin-4-yl)methyl]phenyl]-dimethylazanium bromide.
Chemical Property Profile of RefChem:1078165
Property Insights of RefChem:1078165
The XLogP value of -0.38 indicates that RefChem:1078165 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.8 Ų, RefChem:1078165 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1078165 has 1 hydrogen bond donor(s) and 4 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:1078165?
The CAS number of RefChem:1078165 is 74195-72-5.
What is the molecular formula of RefChem:1078165?
The molecular formula of RefChem:1078165 is C20H23BrN2O2.
What is the molecular weight of RefChem:1078165?
The molecular weight of RefChem:1078165 is 402.09 g/mol.
Where can I buy RefChem:1078165?
You can request a quote for RefChem:1078165 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078165?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078165 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.