4-Iodoisoquinoline
TL;DR: 4-Iodoisoquinoline (CAS 58142-99-7) is a chemical compound with molecular formula C9H6IN and molecular weight 254.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodoisoquinoline
Also Known As: 4-iodoisoquinoline, isoquinoline, 4-iodo-, 4-Iodoquinoline, 4-Iodisochinolin, 5-iodoisoquinoline
| Molecular Formula | C9H6IN |
|---|---|
| Molecular Weight | 254.95 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.9545 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 58142-99-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NC=C2I |
| InChIKey | LRPCCFSUFGFVBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Iodoisoquinoline (CAS 58142-99-7), with molecular formula C9H6IN and molecular weight 254.95 g/mol. IUPAC: 4-iodoisoquinoline.
Chemical Property Profile of 4-Iodoisoquinoline
Property Insights of 4-Iodoisoquinoline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Iodoisoquinoline. With a topological polar surface area (TPSA) of 12.9 Ų, 4-Iodoisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodoisoquinoline 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 4-Iodoisoquinoline?
The CAS number of 4-Iodoisoquinoline is 58142-99-7.
What is the molecular formula of 4-Iodoisoquinoline?
The molecular formula of 4-Iodoisoquinoline is C9H6IN.
What is the molecular weight of 4-Iodoisoquinoline?
The molecular weight of 4-Iodoisoquinoline is 254.95 g/mol.
Where can I buy 4-Iodoisoquinoline?
You can request a quote for 4-Iodoisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodoisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodoisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.