1-Chloro-5-methylisoquinoline
TL;DR: 1-Chloro-5-methylisoquinoline (CAS 24188-79-2) 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.
1-chloro-5-methylisoquinoline
Also Known As: 1-chloro-5-methylisoquinoline, isoquinoline, 1-chloro-5-methyl-, 1-chloro-5-methyl-isoquinoline, isoquinoline,1-chloro-5-methyl, Isoquinoline,1-chloro-5-methyl-
| Molecular Formula | C10H8ClN |
|---|---|
| Molecular Weight | 177.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.03453 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 24188-79-2 |
|---|---|
| SMILES | CC1=C2C=CN=C(C2=CC=C1)Cl |
| InChIKey | DPAPEFZCOKWLDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-5-methylisoquinoline (CAS 24188-79-2), with molecular formula C10H8ClN and molecular weight 177.03 g/mol. IUPAC: 1-chloro-5-methylisoquinoline.
Chemical Property Profile of 1-Chloro-5-methylisoquinoline
Property Insights of 1-Chloro-5-methylisoquinoline
The XLogP value of 3.4 indicates that 1-Chloro-5-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, 1-Chloro-5-methylisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-5-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 1-Chloro-5-methylisoquinoline?
The CAS number of 1-Chloro-5-methylisoquinoline is 24188-79-2.
What is the molecular formula of 1-Chloro-5-methylisoquinoline?
The molecular formula of 1-Chloro-5-methylisoquinoline is C10H8ClN.
What is the molecular weight of 1-Chloro-5-methylisoquinoline?
The molecular weight of 1-Chloro-5-methylisoquinoline is 177.03 g/mol.
Where can I buy 1-Chloro-5-methylisoquinoline?
You can request a quote for 1-Chloro-5-methylisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-5-methylisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-5-methylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.