3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide
TL;DR: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide (CAS 333758-97-7) is a chemical compound with molecular formula C18H19FN2O and molecular weight 298.15 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-(2-fluorophenyl)propanamide
Also Known As: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide, AT-057/43314939, 3-(3,4-dihydro-2(1H)-isoquinolinyl)-N-(2-fluorophenyl)propanamide, 3-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-fluorophenyl)propanamide, 3-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-N~1~-(2-FLUOROPHENYL)PROPANAMIDE
| Molecular Formula | C18H19FN2O |
|---|---|
| Molecular Weight | 298.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.14813 |
| Heavy Atoms | 22 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 333758-97-7 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CCC(=O)NC3=CC=CC=C3F |
| InChIKey | KCENAYZKEVDPSD-UHFFFAOYSA-N |
Product Overview
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide (CAS 333758-97-7), with molecular formula C18H19FN2O and molecular weight 298.15 g/mol. IUPAC: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide.
Chemical Property Profile of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide
Property Insights of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide 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-(2-fluorophenyl)propanamide 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-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide?
The CAS number of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide is 333758-97-7.
What is the molecular formula of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide?
The molecular formula of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide is C18H19FN2O.
What is the molecular weight of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide?
The molecular weight of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide is 298.15 g/mol.
Where can I buy 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide?
You can request a quote for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide 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-(2-fluorophenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.