3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid
TL;DR: 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid (CAS 943119-79-7) is a chemical compound with molecular formula C16H17NO2S and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid
Also Known As: 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid, 3-[1-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-yl]propanoic acid, 3-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propanoic Acid, 3-[1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid, 3-[1-(thiophen-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
| Molecular Formula | C16H17NO2S |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | 3.1703 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.098 |
| Heavy Atoms | 20 |
| Complexity | 594.2842 |
Chemical Identifiers
| CAS Number | 943119-79-7 |
|---|---|
| SMILES | C1CN(C(C2=CC=CC=C21)C3=CC=CS3)CCC(=O)O |
Product Overview
3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid (CAS 943119-79-7), with molecular formula C16H17NO2S and molecular weight 287.10 g/mol. IUPAC: 3-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid.
Chemical Property Profile of 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid
Property Insights of 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid
The XLogP value of 3.1703 indicates that 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid 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 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid?
The CAS number of 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid is 943119-79-7.
What is the molecular formula of 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid?
The molecular formula of 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid is C16H17NO2S.
What is the molecular weight of 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid?
The molecular weight of 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid is 287.10 g/mol.
Where can I buy 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid?
You can request a quote for 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-(Thiophen-2-yl)-3,4-dihydroisoquinolin-2(1h)-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.