N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide
TL;DR: N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide (CAS 142678-65-7) is a chemical compound with molecular formula C11H9ClN2O2 and molecular weight 236.03525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)acetamide
Also Known As: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)acetamide, 6-acetylamino-7-chloro-1,2-dihydroisoquinolin-1 -one, N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide, Acetamide, N-(7-chloro-1,2-dihydro-1-oxo-6-isoquinolinyl)-
Technical Specifications
| Molecular Formula | C11H9ClN2O2 |
| Molecular Weight | 236.03525 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.03525 Da |
| Heavy Atoms | 16 |
| Complexity | 343.0 |
| SMILES | CC(=O)NC1=C(C=C2C(=C1)C=CNC2=O)Cl |
| InChIKey | XBWPUKKLMDHENA-UHFFFAOYSA-N |
Chemical Property Profile of N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide
Property Insights of N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide. With a topological polar surface area (TPSA) of 58.2 Ų, N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide?
The CAS number of N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide is 142678-65-7.
What is the molecular formula of N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide?
The molecular formula of N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide is C11H9ClN2O2.
What is the molecular weight of N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide?
The molecular weight of N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide is 236.03525 g/mol.
Where can I buy N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide?
You can request a quote for N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide?
Yes, CoreyChem provides custom synthesis services for N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.