2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate
TL;DR: 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate (CAS 331416-85-4) is a chemical compound with molecular formula C20H21NO3 and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,4-trimethyl-1H-quinolin-6-yl) 2-phenoxyacetate
Also Known As: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate, 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl phenoxyacetate, (2,2,4-trimethyl-1H-quinolin-6-yl) 2-phenoxyacetate, 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-phenoxyacetate, 2,2,4-TRIMETHYL-1H-QUINOLIN-6-YL 2-PHENOXYACETATE
| Molecular Formula | C20H21NO3 |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.15213 |
| Heavy Atoms | 24 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 331416-85-4 |
|---|---|
| SMILES | CC1=CC(NC2=C1C=C(C=C2)OC(=O)COC3=CC=CC=C3)(C)C |
| InChIKey | CLUHLYUWVGPJPV-UHFFFAOYSA-N |
Product Overview
2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate (CAS 331416-85-4), with molecular formula C20H21NO3 and molecular weight 323.15 g/mol. IUPAC: (2,2,4-trimethyl-1H-quinolin-6-yl) 2-phenoxyacetate.
Chemical Property Profile of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate
Property Insights of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate
The XLogP value of 4.2 indicates that 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate has 1 hydrogen bond donor(s) and 4 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 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate?
The CAS number of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate is 331416-85-4.
What is the molecular formula of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate?
The molecular formula of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate is C20H21NO3.
What is the molecular weight of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate?
The molecular weight of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate is 323.15 g/mol.
Where can I buy 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate?
You can request a quote for 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl phenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.