ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate
TL;DR: ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate (CAS 5019-07-8) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate
Also Known As: ethyl 3,4-dihydroisoquinolin-1(2h)-ylideneacetate, ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate, ethyl 2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 5019-07-8 |
|---|---|
| SMILES | CCOC(=O)C=C1C2=CC=CC=C2CCN1 |
| InChIKey | BILLEFDKSPJMMN-UHFFFAOYSA-N |
Product Overview
ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate (CAS 5019-07-8), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: ethyl 2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate.
Chemical Property Profile of ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate
Property Insights of ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate. With a topological polar surface area (TPSA) of 38.3 Ų, ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate has 1 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 ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate?
The CAS number of ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate is 5019-07-8.
What is the molecular formula of ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate?
The molecular formula of ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate is C13H15NO2.
What is the molecular weight of ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate?
The molecular weight of ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate is 217.11 g/mol.
Where can I buy ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate?
You can request a quote for ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.