ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate
TL;DR: ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate (CAS 372176-32-4) is a chemical compound with molecular formula C16H19F3N2O3 and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-(acetylamino)-2-(3,4-dihydroisoquinolin-2(1H)-yl)-3,3,3-trifluoropropanoate, ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate, ethyl 2-acetamido-2-(3,4-dihydroisoquinolin-2(1H)-yl)-3,3,3-trifluoropropanoate, 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoic acid ethyl ester, ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-tris(fluoranyl)propanoate
| Molecular Formula | C16H19F3N2O3 |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.13477 |
| Heavy Atoms | 24 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 372176-32-4 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)C)N1CCC2=CC=CC=C2C1 |
| InChIKey | XRUWKERGOBKZNP-UHFFFAOYSA-N |
Product Overview
ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate (CAS 372176-32-4), with molecular formula C16H19F3N2O3 and molecular weight 344.13 g/mol. IUPAC: ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate.
Chemical Property Profile of ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate
Property Insights of ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate. With a topological polar surface area (TPSA) of 58.6 Ų, ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate has 1 hydrogen bond donor(s) and 7 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 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate?
The CAS number of ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate is 372176-32-4.
What is the molecular formula of ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate?
The molecular formula of ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate is C16H19F3N2O3.
What is the molecular weight of ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate?
The molecular weight of ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate is 344.13 g/mol.
Where can I buy ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate?
You can request a quote for ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-acetamido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.