1,5-Dichloroisoquinoline
TL;DR: 1,5-Dichloroisoquinoline (CAS 70810-23-0) is a chemical compound with molecular formula C9H5Cl2N and molecular weight 196.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dichloroisoquinoline
Also Known As: 1,5-dichloroisoquinoline, isoquinoline, 1,5-dichloro-, 0983AC, 4CH-016103, F8885-1719
| Molecular Formula | C9H5Cl2N |
|---|---|
| Molecular Weight | 196.98 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.9799 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 70810-23-0 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2Cl)C(=C1)Cl |
| InChIKey | IKLNCVLTIQMRDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Dichloroisoquinoline (CAS 70810-23-0), with molecular formula C9H5Cl2N and molecular weight 196.98 g/mol. IUPAC: 1,5-dichloroisoquinoline.
Chemical Property Profile of 1,5-Dichloroisoquinoline
Property Insights of 1,5-Dichloroisoquinoline
The XLogP value of 3.7 indicates that 1,5-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, 1,5-Dichloroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-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
Frequently Asked Questions
What is the CAS number of 1,5-Dichloroisoquinoline?
The CAS number of 1,5-Dichloroisoquinoline is 70810-23-0.
What is the molecular formula of 1,5-Dichloroisoquinoline?
The molecular formula of 1,5-Dichloroisoquinoline is C9H5Cl2N.
What is the molecular weight of 1,5-Dichloroisoquinoline?
The molecular weight of 1,5-Dichloroisoquinoline is 196.98 g/mol.
Where can I buy 1,5-Dichloroisoquinoline?
You can request a quote for 1,5-Dichloroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dichloroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dichloroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.