2,3,4-Trimethylquinoline 1-oxide
TL;DR: 2,3,4-Trimethylquinoline 1-oxide (CAS 14300-13-1) is a chemical compound with molecular formula C12H13NO and molecular weight 187.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,4-trimethyl-1-oxidoquinolin-1-ium
Also Known As: 2,3,4-Trimethylquinoline 1-oxide, 2,3,4-trimethyl-1-oxidoquinolin-1-ium, 2,3,4-trimethylquinolin-1-ium-1-olate, Quinoline, 2,3,4-trimethyl-, 1-oxide
Technical Specifications
| Molecular Formula | C12H13NO |
| Molecular Weight | 187.09972 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.09972 Da |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
| SMILES | CC1=C(C2=CC=CC=C2[N+](=C1C)[O-])C |
| InChIKey | KQGJCXVIQBTQPQ-UHFFFAOYSA-N |
Chemical Property Profile of 2,3,4-Trimethylquinoline 1-oxide
Property Insights of 2,3,4-Trimethylquinoline 1-oxide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-Trimethylquinoline 1-oxide. With a topological polar surface area (TPSA) of 25.5 Ų, 2,3,4-Trimethylquinoline 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4-Trimethylquinoline 1-oxide 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
What is the CAS number of 2,3,4-Trimethylquinoline 1-oxide?
The CAS number of 2,3,4-Trimethylquinoline 1-oxide is 14300-13-1.
What is the molecular formula of 2,3,4-Trimethylquinoline 1-oxide?
The molecular formula of 2,3,4-Trimethylquinoline 1-oxide is C12H13NO.
What is the molecular weight of 2,3,4-Trimethylquinoline 1-oxide?
The molecular weight of 2,3,4-Trimethylquinoline 1-oxide is 187.09972 g/mol.
Where can I buy 2,3,4-Trimethylquinoline 1-oxide?
You can request a quote for 2,3,4-Trimethylquinoline 1-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3,4-Trimethylquinoline 1-oxide?
Yes, CoreyChem provides custom synthesis services for 2,3,4-Trimethylquinoline 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.