2,3,4-Trimethylquinoline
TL;DR: 2,3,4-Trimethylquinoline (CAS 2437-72-1) 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.
2,3,4-trimethylquinoline
Also Known As: 2,3,4-TRIMETHYLQUINOLINE, TRIMETHYLQUINOLINE, Quinoline, 2,3,4-trimethyl-, RefChem:81343, InChI=1/C12H13N/c1-8-9(2)11-6-4-5-7-12(11)13-10(8)3/h4-7H,1-3H
| 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 | 0 |
| Exact Mass | 171.1048 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 2437-72-1 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N=C1C)C |
| InChIKey | VBCFHWSPNHEYGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4-Trimethylquinoline (CAS 2437-72-1), with molecular formula C12H13N and molecular weight 171.10 g/mol. IUPAC: 2,3,4-trimethylquinoline.
Chemical Property Profile of 2,3,4-Trimethylquinoline
Property Insights of 2,3,4-Trimethylquinoline
The XLogP value of 3.3 indicates that 2,3,4-Trimethylquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 2,3,4-Trimethylquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4-Trimethylquinoline 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 2,3,4-Trimethylquinoline?
The CAS number of 2,3,4-Trimethylquinoline is 2437-72-1.
What is the molecular formula of 2,3,4-Trimethylquinoline?
The molecular formula of 2,3,4-Trimethylquinoline is C12H13N.
What is the molecular weight of 2,3,4-Trimethylquinoline?
The molecular weight of 2,3,4-Trimethylquinoline is 171.10 g/mol.
Where can I buy 2,3,4-Trimethylquinoline?
You can request a quote for 2,3,4-Trimethylquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-Trimethylquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Trimethylquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.