Acetamide, N-1-isoquinolinyl-
TL;DR: Acetamide, N-1-isoquinolinyl- (CAS 51640-00-7) is a chemical compound with molecular formula C11H10N2O and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-isoquinolin-1-ylacetamide
Also Known As: Acetamide, N-1-isoquinolinyl-, 1-acetamidoisoquinoline, 1-(Acetylamino)isoquinoline, N-isoquinolin-1-ylacetamide, N-(1-Isoquinolinyl)acetamide
| Molecular Formula | C11H10N2O |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.07932 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 51640-00-7 |
|---|---|
| SMILES | CC(=O)NC1=NC=CC2=CC=CC=C21 |
| InChIKey | ATVDHPMOVKWWQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetamide, N-1-isoquinolinyl- (CAS 51640-00-7), with molecular formula C11H10N2O and molecular weight 186.08 g/mol. IUPAC: N-isoquinolin-1-ylacetamide.
Chemical Property Profile of Acetamide, N-1-isoquinolinyl-
Property Insights of Acetamide, N-1-isoquinolinyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, N-1-isoquinolinyl-. With a topological polar surface area (TPSA) of 42.0 Ų, Acetamide, N-1-isoquinolinyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetamide, N-1-isoquinolinyl- 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 Acetamide, N-1-isoquinolinyl-?
The CAS number of Acetamide, N-1-isoquinolinyl- is 51640-00-7.
What is the molecular formula of Acetamide, N-1-isoquinolinyl-?
The molecular formula of Acetamide, N-1-isoquinolinyl- is C11H10N2O.
What is the molecular weight of Acetamide, N-1-isoquinolinyl-?
The molecular weight of Acetamide, N-1-isoquinolinyl- is 186.08 g/mol.
Where can I buy Acetamide, N-1-isoquinolinyl-?
You can request a quote for Acetamide, N-1-isoquinolinyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, N-1-isoquinolinyl-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N-1-isoquinolinyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.