Isoquinoline hydrochloride
TL;DR: Isoquinoline hydrochloride (CAS 21364-46-5) is a chemical compound with molecular formula C9H8ClN and molecular weight 165.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isoquinoline;hydrochloride
Also Known As: Isoquinolinium chloride, Isoquinoline hydrochloride, Isoquinoline HCl, isoquinoline;hydrochloride, Isoquinoline, hydrochloride
| Molecular Formula | C9H8ClN |
|---|---|
| Molecular Weight | 165.03 g/mol |
| LogP | 2.66 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.03453 |
| Heavy Atoms | 11 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 21364-46-5 |
|---|---|
| SMILES | C1=CC=C2C=NC=CC2=C1.Cl |
| InChIKey | IYRMNDOLPONSCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoquinoline hydrochloride (CAS 21364-46-5), with molecular formula C9H8ClN and molecular weight 165.03 g/mol. IUPAC: isoquinoline;hydrochloride.
Chemical Property Profile of Isoquinoline hydrochloride
Property Insights of Isoquinoline hydrochloride
The XLogP value of 2.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline hydrochloride. With a topological polar surface area (TPSA) of 12.9 Ų, Isoquinoline hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline hydrochloride has 1 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 Isoquinoline hydrochloride?
The CAS number of Isoquinoline hydrochloride is 21364-46-5.
What is the molecular formula of Isoquinoline hydrochloride?
The molecular formula of Isoquinoline hydrochloride is C9H8ClN.
What is the molecular weight of Isoquinoline hydrochloride?
The molecular weight of Isoquinoline hydrochloride is 165.03 g/mol.
Where can I buy Isoquinoline hydrochloride?
You can request a quote for Isoquinoline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.