4-Bromo-1-methylisoquinoline
TL;DR: 4-Bromo-1-methylisoquinoline (CAS 104704-40-7) 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.
4-bromo-1-methylisoquinoline
Also Known As: 4-Bromo-1-methylisoquinoline, 4-BROMO-1-METHYL-ISOQUINOLINE, Isoquinoline, 4-bromo-1-methyl-, 1-Bromo-4-methylisoquinoline, 4-Bromo-1-methylisoquinoline #
| Molecular Formula | C10H8BrN |
|---|---|
| Molecular Weight | 220.98 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.98401 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 104704-40-7 |
|---|---|
| SMILES | CC1=NC=C(C2=CC=CC=C12)Br |
| InChIKey | IXDMPRODBWENBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-1-methylisoquinoline (CAS 104704-40-7), with molecular formula C10H8BrN and molecular weight 220.98 g/mol. IUPAC: 4-bromo-1-methylisoquinoline.
Chemical Property Profile of 4-Bromo-1-methylisoquinoline
Property Insights of 4-Bromo-1-methylisoquinoline
The XLogP value of 3.2 indicates that 4-Bromo-1-methylisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 4-Bromo-1-methylisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1-methylisoquinoline 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 4-Bromo-1-methylisoquinoline?
The CAS number of 4-Bromo-1-methylisoquinoline is 104704-40-7.
What is the molecular formula of 4-Bromo-1-methylisoquinoline?
The molecular formula of 4-Bromo-1-methylisoquinoline is C10H8BrN.
What is the molecular weight of 4-Bromo-1-methylisoquinoline?
The molecular weight of 4-Bromo-1-methylisoquinoline is 220.98 g/mol.
Where can I buy 4-Bromo-1-methylisoquinoline?
You can request a quote for 4-Bromo-1-methylisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1-methylisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-methylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.