N-(1-Isoquinolinyl)benzamide
TL;DR: N-(1-Isoquinolinyl)benzamide (CAS 33357-47-0) is a chemical compound with molecular formula C16H12N2O and molecular weight 248.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-isoquinolin-1-ylbenzamide
Also Known As: N- benzamide, Benzamide, N-1-isoquinolyl-, N-(1-Isoquinolinyl)benzamide, N-(isoquinolin-1-yl)benzamide, N-isoquinolin-1-ylbenzamide
| Molecular Formula | C16H12N2O |
|---|---|
| Molecular Weight | 248.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.09496 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 33357-47-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=NC=CC3=CC=CC=C32 |
| InChIKey | OMLUWEHKCFFWOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1-Isoquinolinyl)benzamide (CAS 33357-47-0), with molecular formula C16H12N2O and molecular weight 248.09 g/mol. IUPAC: N-isoquinolin-1-ylbenzamide.
Chemical Property Profile of N-(1-Isoquinolinyl)benzamide
Property Insights of N-(1-Isoquinolinyl)benzamide
The XLogP value of 3.3 indicates that N-(1-Isoquinolinyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, N-(1-Isoquinolinyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-Isoquinolinyl)benzamide 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 N-(1-Isoquinolinyl)benzamide?
The CAS number of N-(1-Isoquinolinyl)benzamide is 33357-47-0.
What is the molecular formula of N-(1-Isoquinolinyl)benzamide?
The molecular formula of N-(1-Isoquinolinyl)benzamide is C16H12N2O.
What is the molecular weight of N-(1-Isoquinolinyl)benzamide?
The molecular weight of N-(1-Isoquinolinyl)benzamide is 248.09 g/mol.
Where can I buy N-(1-Isoquinolinyl)benzamide?
You can request a quote for N-(1-Isoquinolinyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Isoquinolinyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Isoquinolinyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.