ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate
TL;DR: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate (CAS 355155-93-0) is a chemical compound with molecular formula C17H21F3N2O3 and molecular weight 358.15 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)-3,3,3-trifluoro-2-(propanoylamino)propanoate
Also Known As: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate, ethyl 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3,3,3-trifluoro-2-propionamidopropanoate, ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(2-1,2,3,4-tetrahydroisoquinolyl)pr opanoate, 2-(3,4-Dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-propionylamino-propionic acid ethyl ester, 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(1-oxopropylamino)propanoic acid ethyl ester
| Molecular Formula | C17H21F3N2O3 |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 2.3926 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.15042 |
| Heavy Atoms | 25 |
| Complexity | 648.2704 |
Chemical Identifiers
| CAS Number | 355155-93-0 |
|---|---|
| SMILES | CCC(=O)NC(C(=O)OCC)(C(F)(F)F)N1CCC2=CC=CC=C2C1 |
Product Overview
ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate (CAS 355155-93-0), with molecular formula C17H21F3N2O3 and molecular weight 358.15 g/mol. IUPAC: ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate.
Chemical Property Profile of ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate
Property Insights of ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate
The XLogP value of 2.3926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate. With a topological polar surface area (TPSA) of 58.64 Ų, ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate has 1 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 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate?
The CAS number of ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate is 355155-93-0.
What is the molecular formula of ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate?
The molecular formula of ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate is C17H21F3N2O3.
What is the molecular weight of ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate?
The molecular weight of ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate is 358.15 g/mol.
Where can I buy ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate?
You can request a quote for ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluoro-2-(propanoylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.