Quinoline, 1,2-dihydro-1-ethoxalyl-
TL;DR: Quinoline, 1,2-dihydro-1-ethoxalyl- (CAS 5468-22-4) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-2-(2H-quinolin-1-yl)acetate
Also Known As: Quinoline, 1,2-dihydro-1-ethoxalyl-, 1-Ethoxalyl-1,2-dihydroquinoline, ethyl oxo(quinolin-1(2h)-yl)acetate, ethyl oxo(1(2H)-quinolinyl)acetate, 1,2-DIHYDRO-1-ETHOXALYLQUINOLINE
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 5468-22-4 |
|---|---|
| SMILES | CCOC(=O)C(=O)N1CC=CC2=CC=CC=C21 |
| InChIKey | WTLJHBLVUSNPSV-UHFFFAOYSA-N |
Product Overview
Quinoline, 1,2-dihydro-1-ethoxalyl- (CAS 5468-22-4), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: ethyl 2-oxo-2-(2H-quinolin-1-yl)acetate.
Chemical Property Profile of Quinoline, 1,2-dihydro-1-ethoxalyl-
Property Insights of Quinoline, 1,2-dihydro-1-ethoxalyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinoline, 1,2-dihydro-1-ethoxalyl-. With a topological polar surface area (TPSA) of 46.6 Ų, Quinoline, 1,2-dihydro-1-ethoxalyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinoline, 1,2-dihydro-1-ethoxalyl- has 0 hydrogen bond donor(s) and 3 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 Quinoline, 1,2-dihydro-1-ethoxalyl-?
The CAS number of Quinoline, 1,2-dihydro-1-ethoxalyl- is 5468-22-4.
What is the molecular formula of Quinoline, 1,2-dihydro-1-ethoxalyl-?
The molecular formula of Quinoline, 1,2-dihydro-1-ethoxalyl- is C13H13NO3.
What is the molecular weight of Quinoline, 1,2-dihydro-1-ethoxalyl-?
The molecular weight of Quinoline, 1,2-dihydro-1-ethoxalyl- is 231.09 g/mol.
Where can I buy Quinoline, 1,2-dihydro-1-ethoxalyl-?
You can request a quote for Quinoline, 1,2-dihydro-1-ethoxalyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinoline, 1,2-dihydro-1-ethoxalyl-?
Yes, KEHONG BIO provides custom synthesis services for Quinoline, 1,2-dihydro-1-ethoxalyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.