![2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide structure](/static/products/5471/5471-38-5.webp)
2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide
TL;DR: 2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide (CAS 5471-38-5) is a chemical compound with molecular formula C24H20BrNO and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isoquinolin-2-ium-2-yl-1-(4-phenylphenyl)propan-1-one bromide
Also Known As: 2-isoquinolin-2-yl-1-(4-phenylphenyl)propan-1-one Bromide, 2-[2-(4-biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide, 2-isoquinolin-2-ium-2-yl-1-(4-phenylphenyl)propan-1-one bromide
| Molecular Formula | C24H20BrNO |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 2.2422 |
| Topological Polar Surface Area | 20.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.0728 |
| Heavy Atoms | 27 |
| Complexity | 1058.4231 |
Chemical Identifiers
| CAS Number | 5471-38-5 |
|---|---|
| SMILES | CC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)[N+]3=CC4=CC=CC=C4C=C3.[Br-] |
Product Overview
2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide (CAS 5471-38-5), with molecular formula C24H20BrNO and molecular weight 417.07 g/mol. IUPAC: 2-isoquinolin-2-ium-2-yl-1-(4-phenylphenyl)propan-1-one bromide.
Chemical Property Profile of 2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide
Property Insights of 2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide
The XLogP value of 2.2422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide. With a topological polar surface area (TPSA) of 20.95 Ų, 2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide has 0 hydrogen bond donor(s) and 1 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 2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide?
The CAS number of 2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide is 5471-38-5.
What is the molecular formula of 2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide?
The molecular formula of 2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide is C24H20BrNO.
What is the molecular weight of 2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide?
The molecular weight of 2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide is 417.07 g/mol.
Where can I buy 2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide?
You can request a quote for 2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Biphenylyl)-1-methyl-2-oxoethyl]isoquinolinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.