Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate
TL;DR: Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate (CAS 565178-77-0) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxopropanoate
Also Known As: ETHYL 3-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)-2-OXOPROPANOATE, ethyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxopropanoate, F2145-0061, 2 -Isoquinolinepropanoicacid,3,4-dihydro-alpha-oxo-,ethylester, Ethyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-propanoate
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 1.1769 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 456.10727 |
Chemical Identifiers
| CAS Number | 565178-77-0 |
|---|---|
| SMILES | CCOC(=O)C(=O)CN1CCC2=CC=CC=C2C1 |
Product Overview
Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate (CAS 565178-77-0), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: ethyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxopropanoate.
Chemical Property Profile of Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate
Property Insights of Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate
The XLogP value of 1.1769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate. With a topological polar surface area (TPSA) of 46.61 Ų, Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate 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 Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate?
The CAS number of Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate is 565178-77-0.
What is the molecular formula of Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate?
The molecular formula of Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate is C14H17NO3.
What is the molecular weight of Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate?
The molecular weight of Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate is 247.12 g/mol.
Where can I buy Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate?
You can request a quote for Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3,4-dihydroisoquinolin-2(1H)-YL)-2-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.