1,4-Dichloroisoquinoline
TL;DR: 1,4-Dichloroisoquinoline (CAS 15298-58-5) is a chemical compound with molecular formula C9H5Cl2N and molecular weight 196.9799 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dichloroisoquinoline
Also Known As: 1,4-dichloroisoquinoline, 1,4-dichloro-isoquinoline, isoquinoline, 1,4-dichloro-, 1,4 - Dichloroisoquinoline, Isoquinoline,1,4-dichloro-
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H5Cl2N |
| Molecular Weight | 196.9799 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.9799 Da |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
| SMILES | C1=CC=C2C(=C1)C(=CN=C2Cl)Cl |
| InChIKey | HAOKHVBZPIURMZ-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Dichloroisoquinoline
Property Insights of 1,4-Dichloroisoquinoline
The XLogP value of 3.7 indicates that 1,4-Dichloroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 1,4-Dichloroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dichloroisoquinoline 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
What is the CAS number of 1,4-Dichloroisoquinoline?
The CAS number of 1,4-Dichloroisoquinoline is 15298-58-5.
What is the molecular formula of 1,4-Dichloroisoquinoline?
The molecular formula of 1,4-Dichloroisoquinoline is C9H5Cl2N.
What is the molecular weight of 1,4-Dichloroisoquinoline?
The molecular weight of 1,4-Dichloroisoquinoline is 196.9799 g/mol.
Where can I buy 1,4-Dichloroisoquinoline?
You can request a quote for 1,4-Dichloroisoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Dichloroisoquinoline?
Yes, CoreyChem provides custom synthesis services for 1,4-Dichloroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.