4-(1H-imidazol-5-yl)isoquinoline
TL;DR: 4-(1H-imidazol-5-yl)isoquinoline (CAS 469864-17-3) is a chemical compound with molecular formula C12H9N3 and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-imidazol-5-yl)isoquinoline
Also Known As: 4-(3H-imidazol-4-yl)isoquinoline, Isoquinoline, 4-(1H-imidazol-5-yl)-
| Molecular Formula | C12H9N3 |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | 2.6249 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.07965 |
| Heavy Atoms | 15 |
| Complexity | 579.3843 |
Chemical Identifiers
| CAS Number | 469864-17-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NC=C2C3=CN=CN3 |
Product Overview
4-(1H-imidazol-5-yl)isoquinoline (CAS 469864-17-3), with molecular formula C12H9N3 and molecular weight 195.08 g/mol. IUPAC: 4-(1H-imidazol-5-yl)isoquinoline.
Chemical Property Profile of 4-(1H-imidazol-5-yl)isoquinoline
Property Insights of 4-(1H-imidazol-5-yl)isoquinoline
The XLogP value of 2.6249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-imidazol-5-yl)isoquinoline. With a topological polar surface area (TPSA) of 41.57 Ų, 4-(1H-imidazol-5-yl)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1H-imidazol-5-yl)isoquinoline has 1 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 4-(1H-imidazol-5-yl)isoquinoline?
The CAS number of 4-(1H-imidazol-5-yl)isoquinoline is 469864-17-3.
What is the molecular formula of 4-(1H-imidazol-5-yl)isoquinoline?
The molecular formula of 4-(1H-imidazol-5-yl)isoquinoline is C12H9N3.
What is the molecular weight of 4-(1H-imidazol-5-yl)isoquinoline?
The molecular weight of 4-(1H-imidazol-5-yl)isoquinoline is 195.08 g/mol.
Where can I buy 4-(1H-imidazol-5-yl)isoquinoline?
You can request a quote for 4-(1H-imidazol-5-yl)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-imidazol-5-yl)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-imidazol-5-yl)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.