Isoquinolinium, 2-butyl-
TL;DR: Isoquinolinium, 2-butyl- (CAS 46316-04-5) is a chemical compound with molecular formula C13H16N+ and molecular weight 186.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylisoquinolin-2-ium
Also Known As: 2-butylisoquinolin-2-ium, Isoquinolinium, 2-butyl-, 2-Butylisoquinolinium, N-Butyl-isochinolinium
| Molecular Formula | C13H16N+ |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.12828 |
| Heavy Atoms | 14 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 46316-04-5 |
|---|---|
| SMILES | CCCC[N+]1=CC2=CC=CC=C2C=C1 |
| InChIKey | QIPOHFUODFGVHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoquinolinium, 2-butyl- (CAS 46316-04-5), with molecular formula C13H16N+ and molecular weight 186.13 g/mol. IUPAC: 2-butylisoquinolin-2-ium.
Chemical Property Profile of Isoquinolinium, 2-butyl-
Property Insights of Isoquinolinium, 2-butyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinolinium, 2-butyl-. With a topological polar surface area (TPSA) of 3.9 Ų, Isoquinolinium, 2-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 2-butyl- has 0 hydrogen bond donor(s) and 0 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 Isoquinolinium, 2-butyl-?
The CAS number of Isoquinolinium, 2-butyl- is 46316-04-5.
What is the molecular formula of Isoquinolinium, 2-butyl-?
The molecular formula of Isoquinolinium, 2-butyl- is C13H16N+.
What is the molecular weight of Isoquinolinium, 2-butyl-?
The molecular weight of Isoquinolinium, 2-butyl- is 186.13 g/mol.
Where can I buy Isoquinolinium, 2-butyl-?
You can request a quote for Isoquinolinium, 2-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolinium, 2-butyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolinium, 2-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.