3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
TL;DR: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide (CAS 428823-68-1) is a chemical compound with molecular formula C19H21N3O4 and molecular weight 355.15 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-methoxy-5-nitrophenyl)propanamide
Also Known As: AT-057/43315949, 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide, 3-(3,4-dihydro-2(1H)-isoquinolinyl)-N-(2-methoxy-5-nitrophenyl)propanamide, 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide, 3-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
| Molecular Formula | C19H21N3O4 |
|---|---|
| Molecular Weight | 355.15 g/mol |
| LogP | 2.9903 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.1532 |
| Heavy Atoms | 26 |
| Complexity | 822.1816 |
Chemical Identifiers
| CAS Number | 428823-68-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCC3=CC=CC=C3C2 |
Product Overview
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide (CAS 428823-68-1), with molecular formula C19H21N3O4 and molecular weight 355.15 g/mol. IUPAC: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide.
Chemical Property Profile of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
Property Insights of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
The XLogP value of 2.9903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide. Following Lipinski's Rule of Five, 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide has 1 hydrogen bond donor(s) and 5 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-methoxy-5-nitrophenyl)propanamide?
The CAS number of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide is 428823-68-1.
What is the molecular formula of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide?
The molecular formula of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide is C19H21N3O4.
What is the molecular weight of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide?
The molecular weight of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide is 355.15 g/mol.
Where can I buy 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide?
You can request a quote for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)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-methoxy-5-nitrophenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.