Isoquinoline, 1-butyl-
TL;DR: Isoquinoline, 1-butyl- (CAS 7661-38-3) is a chemical compound with molecular formula C13H15N and molecular weight 185.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylisoquinoline
Also Known As: 1-Butylisoquinoline, Butylisoquinolin, Isoquinoline, 1-butyl-, 1-Butylisoquinoline #
| Molecular Formula | C13H15N |
|---|---|
| Molecular Weight | 185.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.12045 |
| Heavy Atoms | 14 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 7661-38-3 |
|---|---|
| SMILES | CCCCC1=NC=CC2=CC=CC=C21 |
| InChIKey | KXAVXNWSOPHOON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoquinoline, 1-butyl- (CAS 7661-38-3), with molecular formula C13H15N and molecular weight 185.12 g/mol. IUPAC: 1-butylisoquinoline.
Chemical Property Profile of Isoquinoline, 1-butyl-
Property Insights of Isoquinoline, 1-butyl-
The XLogP value of 3.8 indicates that Isoquinoline, 1-butyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, Isoquinoline, 1-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1-butyl- 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 Isoquinoline, 1-butyl-?
The CAS number of Isoquinoline, 1-butyl- is 7661-38-3.
What is the molecular formula of Isoquinoline, 1-butyl-?
The molecular formula of Isoquinoline, 1-butyl- is C13H15N.
What is the molecular weight of Isoquinoline, 1-butyl-?
The molecular weight of Isoquinoline, 1-butyl- is 185.12 g/mol.
Where can I buy Isoquinoline, 1-butyl-?
You can request a quote for Isoquinoline, 1-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 1-butyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.