4-(1H-Imidazol-4-yl-methyl)-isoquinoline
TL;DR: 4-(1H-Imidazol-4-yl-methyl)-isoquinoline (CAS 214700-67-1) is a chemical compound with molecular formula C13H11N3 and molecular weight 209.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-imidazol-5-ylmethyl)isoquinoline
Also Known As: 4-(1H-Imidazol-4-yl-methyl)-isoquinoline, 4-(3H-imidazol-4-ylmethyl)isoquinoline, 4-[(1H-Imidazol-5-yl)methyl]isoquinoline, 4-(1H-IMIDAZOL-4-YLMETHYL)-ISOQUINOLINE
| Molecular Formula | C13H11N3 |
|---|---|
| Molecular Weight | 209.10 g/mol |
| LogP | 2.5487 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.09529 |
| Heavy Atoms | 16 |
| Complexity | 594.1559 |
Chemical Identifiers
| CAS Number | 214700-67-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NC=C2CC3=CN=CN3 |
Product Overview
4-(1H-Imidazol-4-yl-methyl)-isoquinoline (CAS 214700-67-1), with molecular formula C13H11N3 and molecular weight 209.10 g/mol. IUPAC: 4-(1H-imidazol-5-ylmethyl)isoquinoline.
Chemical Property Profile of 4-(1H-Imidazol-4-yl-methyl)-isoquinoline
Property Insights of 4-(1H-Imidazol-4-yl-methyl)-isoquinoline
The XLogP value of 2.5487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-Imidazol-4-yl-methyl)-isoquinoline. With a topological polar surface area (TPSA) of 41.57 Ų, 4-(1H-Imidazol-4-yl-methyl)-isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1H-Imidazol-4-yl-methyl)-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-4-yl-methyl)-isoquinoline?
The CAS number of 4-(1H-Imidazol-4-yl-methyl)-isoquinoline is 214700-67-1.
What is the molecular formula of 4-(1H-Imidazol-4-yl-methyl)-isoquinoline?
The molecular formula of 4-(1H-Imidazol-4-yl-methyl)-isoquinoline is C13H11N3.
What is the molecular weight of 4-(1H-Imidazol-4-yl-methyl)-isoquinoline?
The molecular weight of 4-(1H-Imidazol-4-yl-methyl)-isoquinoline is 209.10 g/mol.
Where can I buy 4-(1H-Imidazol-4-yl-methyl)-isoquinoline?
You can request a quote for 4-(1H-Imidazol-4-yl-methyl)-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-4-yl-methyl)-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-Imidazol-4-yl-methyl)-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.