1-Bromomethylisoquinoline
TL;DR: 1-Bromomethylisoquinoline (CAS 74417-44-0) is a chemical compound with molecular formula C10H8BrN and molecular weight 220.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)isoquinoline
Also Known As: 1-(bromomethyl)isoquinoline, 1-bromomethyl-isoquinoline, 1-Bromomethylisoquinoline, Isoquinoline, 1-(bromomethyl)-, 1-(bromomethyl) isoquinoline
| Molecular Formula | C10H8BrN |
|---|---|
| Molecular Weight | 220.98 g/mol |
| LogP | 3.1297 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.98401 |
| Heavy Atoms | 12 |
| Complexity | 392.46564 |
Chemical Identifiers
| CAS Number | 74417-44-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN=C2CBr |
Product Overview
1-Bromomethylisoquinoline (CAS 74417-44-0), with molecular formula C10H8BrN and molecular weight 220.98 g/mol. IUPAC: 1-(bromomethyl)isoquinoline.
Chemical Property Profile of 1-Bromomethylisoquinoline
Property Insights of 1-Bromomethylisoquinoline
The XLogP value of 3.1297 indicates that 1-Bromomethylisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 1-Bromomethylisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromomethylisoquinoline 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 1-Bromomethylisoquinoline?
The CAS number of 1-Bromomethylisoquinoline is 74417-44-0.
What is the molecular formula of 1-Bromomethylisoquinoline?
The molecular formula of 1-Bromomethylisoquinoline is C10H8BrN.
What is the molecular weight of 1-Bromomethylisoquinoline?
The molecular weight of 1-Bromomethylisoquinoline is 220.98 g/mol.
Where can I buy 1-Bromomethylisoquinoline?
You can request a quote for 1-Bromomethylisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromomethylisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromomethylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.