8-Methyl-6-chloroisoquinoline
TL;DR: 8-Methyl-6-chloroisoquinoline (CAS 196875-78-2) is a chemical compound with molecular formula C10H8ClN and molecular weight 177.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-8-methylisoquinoline
Also Known As: 6-chloro-8-methylisoquinoline, 8-methyl-6-chloroisoquinoline, 6-chloro-8-methyl-isoquinoline, Isoquinoline, 6-chloro-8-methyl-, 834-215-3
| Molecular Formula | C10H8ClN |
|---|---|
| Molecular Weight | 177.03 g/mol |
| LogP | 3.19662 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.03453 |
| Heavy Atoms | 12 |
| Complexity | 423.10812 |
Chemical Identifiers
| CAS Number | 196875-78-2 |
|---|---|
| SMILES | CC1=CC(=CC2=C1C=NC=C2)Cl |
Product Overview
8-Methyl-6-chloroisoquinoline (CAS 196875-78-2), with molecular formula C10H8ClN and molecular weight 177.03 g/mol. IUPAC: 6-chloro-8-methylisoquinoline.
Chemical Property Profile of 8-Methyl-6-chloroisoquinoline
Property Insights of 8-Methyl-6-chloroisoquinoline
The XLogP value of 3.19662 indicates that 8-Methyl-6-chloroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 8-Methyl-6-chloroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Methyl-6-chloroisoquinoline 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 8-Methyl-6-chloroisoquinoline?
The CAS number of 8-Methyl-6-chloroisoquinoline is 196875-78-2.
What is the molecular formula of 8-Methyl-6-chloroisoquinoline?
The molecular formula of 8-Methyl-6-chloroisoquinoline is C10H8ClN.
What is the molecular weight of 8-Methyl-6-chloroisoquinoline?
The molecular weight of 8-Methyl-6-chloroisoquinoline is 177.03 g/mol.
Where can I buy 8-Methyl-6-chloroisoquinoline?
You can request a quote for 8-Methyl-6-chloroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methyl-6-chloroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 8-Methyl-6-chloroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.