(Isobutyl)quinoline
TL;DR: (Isobutyl)quinoline (CAS 1333-58-0) 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.
4-(2-methylpropyl)quinoline
Also Known As: 4-Isobutylquinoline, (Isobutyl)quinoline, 4-(2-methylpropyl)quinoline, isobutyl quinoline, 4-isobutyl-quinoline
| 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 | 2 |
| Exact Mass | 185.12045 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 1333-58-0 |
|---|---|
| SMILES | CC(C)CC1=CC=NC2=CC=CC=C12 |
| InChIKey | ZFIHCQGXRHANID-UHFFFAOYSA-N |
Product Overview
(Isobutyl)quinoline (CAS 1333-58-0), with molecular formula C13H15N and molecular weight 185.12 g/mol. IUPAC: 4-(2-methylpropyl)quinoline.
Chemical Property Profile of (Isobutyl)quinoline
Property Insights of (Isobutyl)quinoline
The XLogP value of 3.8 indicates that (Isobutyl)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, (Isobutyl)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Isobutyl)quinoline 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 (Isobutyl)quinoline?
The CAS number of (Isobutyl)quinoline is 1333-58-0.
What is the molecular formula of (Isobutyl)quinoline?
The molecular formula of (Isobutyl)quinoline is C13H15N.
What is the molecular weight of (Isobutyl)quinoline?
The molecular weight of (Isobutyl)quinoline is 185.12 g/mol.
Where can I buy (Isobutyl)quinoline?
You can request a quote for (Isobutyl)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Isobutyl)quinoline?
Yes, KEHONG BIO provides custom synthesis services for (Isobutyl)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.