2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate
TL;DR: 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate (CAS 380484-08-2) is a chemical compound with molecular formula C19H16N2O3 and molecular weight 320.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-cyanobenzoate
Also Known As: AB00712961-01, 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate, [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-cyanobenzoate
| Molecular Formula | C19H16N2O3 |
|---|---|
| Molecular Weight | 320.12 g/mol |
| LogP | 2.69448 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.1161 |
| Heavy Atoms | 24 |
| Complexity | 806.10675 |
Chemical Identifiers
| CAS Number | 380484-08-2 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC=C(C=C3)C#N |
Product Overview
2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate (CAS 380484-08-2), with molecular formula C19H16N2O3 and molecular weight 320.12 g/mol. IUPAC: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-cyanobenzoate.
Chemical Property Profile of 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate
Property Insights of 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate
The XLogP value of 2.69448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate. Following Lipinski's Rule of Five, 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate has 0 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-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate?
The CAS number of 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate is 380484-08-2.
What is the molecular formula of 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate?
The molecular formula of 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate is C19H16N2O3.
What is the molecular weight of 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate?
The molecular weight of 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate is 320.12 g/mol.
Where can I buy 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate?
You can request a quote for 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-cyanobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.