2-Butylquinoline
TL;DR: 2-Butylquinoline (CAS 53452-65-6) 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.
2-butylquinoline
Also Known As: 2-Butylquinoline, Butylquinoline, Quinoline, 2-butyl-, 2-butyl-quinoline, Quinoline, butyl-
| Molecular Formula | C13H15N |
|---|---|
| Molecular Weight | 185.12 g/mol |
| LogP | 3.9 |
| 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 | 53452-65-6 |
|---|---|
| SMILES | CCCCC1=NC2=CC=CC=C2C=C1 |
| InChIKey | GMZLALYCWQSOQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butylquinoline (CAS 53452-65-6), with molecular formula C13H15N and molecular weight 185.12 g/mol. IUPAC: 2-butylquinoline.
Chemical Property Profile of 2-Butylquinoline
Property Insights of 2-Butylquinoline
The XLogP value of 3.9 indicates that 2-Butylquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 2-Butylquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butylquinoline 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 2-Butylquinoline?
The CAS number of 2-Butylquinoline is 53452-65-6.
What is the molecular formula of 2-Butylquinoline?
The molecular formula of 2-Butylquinoline is C13H15N.
What is the molecular weight of 2-Butylquinoline?
The molecular weight of 2-Butylquinoline is 185.12 g/mol.
Where can I buy 2-Butylquinoline?
You can request a quote for 2-Butylquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butylquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Butylquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.