6-Isopropylquinoline
TL;DR: 6-Isopropylquinoline (CAS 135-79-5) is a chemical compound with molecular formula C12H13N and molecular weight 171.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-propan-2-ylquinoline
Also Known As: 6-Isopropylquinoline, 6-propan-2-ylquinoline, 6-(Isopropyl)quinoline, Quinoline, 6-(1-methylethyl)-, Isopropyl quinoline
| Molecular Formula | C12H13N |
|---|---|
| Molecular Weight | 171.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.1048 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
| Vapor Pressure | 0.01 [mmHg] |
Chemical Identifiers
| CAS Number | 135-79-5 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)N=CC=C2 |
| InChIKey | NKCQEIXYLHACJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Isopropylquinoline (CAS 135-79-5), with molecular formula C12H13N and molecular weight 171.10 g/mol. IUPAC: 6-propan-2-ylquinoline.
Chemical Property Profile of 6-Isopropylquinoline
Property Insights of 6-Isopropylquinoline
The XLogP value of 3.3 indicates that 6-Isopropylquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 6-Isopropylquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Isopropylquinoline 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 6-Isopropylquinoline?
The CAS number of 6-Isopropylquinoline is 135-79-5.
What is the molecular formula of 6-Isopropylquinoline?
The molecular formula of 6-Isopropylquinoline is C12H13N.
What is the molecular weight of 6-Isopropylquinoline?
The molecular weight of 6-Isopropylquinoline is 171.10 g/mol.
Where can I buy 6-Isopropylquinoline?
You can request a quote for 6-Isopropylquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Isopropylquinoline?
Yes, KEHONG BIO provides custom synthesis services for 6-Isopropylquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.