(E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one
TL;DR: (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one (CAS 332019-27-9) is a chemical compound with molecular formula C17H21NO2 and molecular weight 271.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one
Also Known As: BAS 00801943, BIM-0028787.P001, (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one, (2E)-1-(6-methoxy-2,2,4-trimethylquinolin-1(2H)-yl)but-2-en-1-one, 1-(2-butenoyl)-6-methoxy-2,2,4-trimethyl-1,2-dihydroquinoline
| Molecular Formula | C17H21NO2 |
|---|---|
| Molecular Weight | 271.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.15723 |
| Heavy Atoms | 20 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 332019-27-9 |
|---|---|
| SMILES | C/C=C/C(=O)N1C2=C(C=C(C=C2)OC)C(=CC1(C)C)C |
| InChIKey | BAFYXZITQBCROF-VOTSOKGWSA-N |
Product Overview
(E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one (CAS 332019-27-9), with molecular formula C17H21NO2 and molecular weight 271.16 g/mol. IUPAC: (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one.
Chemical Property Profile of (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one
Property Insights of (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one. With a topological polar surface area (TPSA) of 29.5 Ų, (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one has 0 hydrogen bond donor(s) and 2 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 (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one?
The CAS number of (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one is 332019-27-9.
What is the molecular formula of (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one?
The molecular formula of (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one is C17H21NO2.
What is the molecular weight of (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one?
The molecular weight of (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one is 271.16 g/mol.
Where can I buy (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one?
You can request a quote for (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.