Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate
TL;DR: Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate (CAS 88014-09-9) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)acetate
Also Known As: starbld0046646, Ethyl 2-(3,4-dihydroisoquinolin-2(1H)-yl)acetate, Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate, Ethyl 3,4-dihydroisoquinolin-2(1H)-ylacetate, Ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)acetate
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 1.6078 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 375.9503 |
Chemical Identifiers
| CAS Number | 88014-09-9 |
|---|---|
| SMILES | CCOC(=O)CN1CCC2=CC=CC=C2C1 |
Product Overview
Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate (CAS 88014-09-9), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)acetate.
Chemical Property Profile of Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate
Property Insights of Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate
The XLogP value of 1.6078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate. With a topological polar surface area (TPSA) of 29.54 Ų, Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate 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 Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate?
The CAS number of Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate is 88014-09-9.
What is the molecular formula of Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate?
The molecular formula of Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate is C13H17NO2.
What is the molecular weight of Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate?
The molecular weight of Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate is 219.13 g/mol.
Where can I buy Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate?
You can request a quote for Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3,4-dihydro-1H-isoquinolin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.