3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide
TL;DR: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide (CAS 498535-29-8) is a chemical compound with molecular formula C18H20N2O and molecular weight 280.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide
Also Known As: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide, BAS 03086466, 3-(3,4-dihydro-2(1H)-isoquinolinyl)-N-phenylpropanamide, AT-057/43314203, 3-(3,4-dihydroisoquinolin-2(1H)-yl)-N-phenylpropanamide
| Molecular Formula | C18H20N2O |
|---|---|
| Molecular Weight | 280.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.15756 |
| Heavy Atoms | 21 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 498535-29-8 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CCC(=O)NC3=CC=CC=C3 |
| InChIKey | HYQLDXYGOJREDF-UHFFFAOYSA-N |
Product Overview
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide (CAS 498535-29-8), with molecular formula C18H20N2O and molecular weight 280.16 g/mol. IUPAC: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide.
Chemical Property Profile of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide
Property Insights of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide has 1 hydrogen bond donor(s) and 2 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-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide?
The CAS number of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide is 498535-29-8.
What is the molecular formula of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide?
The molecular formula of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide is C18H20N2O.
What is the molecular weight of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide?
The molecular weight of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide is 280.16 g/mol.
Where can I buy 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide?
You can request a quote for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.