3-Fluoroisoquinoline
TL;DR: 3-Fluoroisoquinoline (CAS 396-29-2) is a chemical compound with molecular formula C9H6FN and molecular weight 147.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoroisoquinoline
Also Known As: 3-fluoroisoquinoline, isoquinoline, 3-fluoro-, RefChem:279531, InChI=1/C9H6FN/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6
| Molecular Formula | C9H6FN |
|---|---|
| Molecular Weight | 147.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.04843 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 396-29-2 |
|---|---|
| SMILES | C1=CC=C2C=NC(=CC2=C1)F |
| InChIKey | DTWZAGQENHHNKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Fluoroisoquinoline (CAS 396-29-2), with molecular formula C9H6FN and molecular weight 147.05 g/mol. IUPAC: 3-fluoroisoquinoline.
Chemical Property Profile of 3-Fluoroisoquinoline
Property Insights of 3-Fluoroisoquinoline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoroisoquinoline. With a topological polar surface area (TPSA) of 12.9 Ų, 3-Fluoroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoroisoquinoline has 0 hydrogen bond donor(s) and 2 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 3-Fluoroisoquinoline?
The CAS number of 3-Fluoroisoquinoline is 396-29-2.
What is the molecular formula of 3-Fluoroisoquinoline?
The molecular formula of 3-Fluoroisoquinoline is C9H6FN.
What is the molecular weight of 3-Fluoroisoquinoline?
The molecular weight of 3-Fluoroisoquinoline is 147.05 g/mol.
Where can I buy 3-Fluoroisoquinoline?
You can request a quote for 3-Fluoroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.