1,4,8-Trimethylquinolin-2(1h)-one
TL;DR: 1,4,8-Trimethylquinolin-2(1h)-one (CAS 5398-93-6) is a chemical compound with molecular formula C12H13NO and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,8-trimethylquinolin-2-one
Also Known As: 1,4,8-trimethylquinolin-2(1h)-one, 1,4,8-trimethylquinolin-2-one, 1,4,8-trimethyl-2(1H)-quinolinone, KST-1B5051, 1,4,7-Trimethyl-1H-chinolin-2-on
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 5398-93-6 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=CC(=O)N2C)C |
| InChIKey | ZBRYDEQMZONEKV-UHFFFAOYSA-N |
Product Overview
1,4,8-Trimethylquinolin-2(1h)-one (CAS 5398-93-6), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 1,4,8-trimethylquinolin-2-one.
Chemical Property Profile of 1,4,8-Trimethylquinolin-2(1h)-one
Property Insights of 1,4,8-Trimethylquinolin-2(1h)-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,8-Trimethylquinolin-2(1h)-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1,4,8-Trimethylquinolin-2(1h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,8-Trimethylquinolin-2(1h)-one 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 1,4,8-Trimethylquinolin-2(1h)-one?
The CAS number of 1,4,8-Trimethylquinolin-2(1h)-one is 5398-93-6.
What is the molecular formula of 1,4,8-Trimethylquinolin-2(1h)-one?
The molecular formula of 1,4,8-Trimethylquinolin-2(1h)-one is C12H13NO.
What is the molecular weight of 1,4,8-Trimethylquinolin-2(1h)-one?
The molecular weight of 1,4,8-Trimethylquinolin-2(1h)-one is 187.10 g/mol.
Where can I buy 1,4,8-Trimethylquinolin-2(1h)-one?
You can request a quote for 1,4,8-Trimethylquinolin-2(1h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,8-Trimethylquinolin-2(1h)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4,8-Trimethylquinolin-2(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.