5-Benzoyl-2-methyl-1(2H)-isoquinolinone
TL;DR: 5-Benzoyl-2-methyl-1(2H)-isoquinolinone (CAS 53995-94-1) is a chemical compound with molecular formula C17H13NO2 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyl-2-methylisoquinolin-1-one
Also Known As: 5-Benzoyl-2-methyl-1(2H)-isoquinolinone, 5-benzoyl-2-methylisoquinolin-1-one, 5-benzoyl-2-methyl-isoquinolin-1-one, NCI60_015092, 5-Benzoyl-2-methylisoquinolin-1(2H)-one
| Molecular Formula | C17H13NO2 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.09464 |
| Heavy Atoms | 20 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 53995-94-1 |
|---|---|
| SMILES | CN1C=CC2=C(C1=O)C=CC=C2C(=O)C3=CC=CC=C3 |
| InChIKey | NRAISZORQBTEOR-UHFFFAOYSA-N |
Product Overview
5-Benzoyl-2-methyl-1(2H)-isoquinolinone (CAS 53995-94-1), with molecular formula C17H13NO2 and molecular weight 263.09 g/mol. IUPAC: 5-benzoyl-2-methylisoquinolin-1-one.
Chemical Property Profile of 5-Benzoyl-2-methyl-1(2H)-isoquinolinone
Property Insights of 5-Benzoyl-2-methyl-1(2H)-isoquinolinone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzoyl-2-methyl-1(2H)-isoquinolinone. With a topological polar surface area (TPSA) of 37.4 Ų, 5-Benzoyl-2-methyl-1(2H)-isoquinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzoyl-2-methyl-1(2H)-isoquinolinone has 0 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 5-Benzoyl-2-methyl-1(2H)-isoquinolinone?
The CAS number of 5-Benzoyl-2-methyl-1(2H)-isoquinolinone is 53995-94-1.
What is the molecular formula of 5-Benzoyl-2-methyl-1(2H)-isoquinolinone?
The molecular formula of 5-Benzoyl-2-methyl-1(2H)-isoquinolinone is C17H13NO2.
What is the molecular weight of 5-Benzoyl-2-methyl-1(2H)-isoquinolinone?
The molecular weight of 5-Benzoyl-2-methyl-1(2H)-isoquinolinone is 263.09 g/mol.
Where can I buy 5-Benzoyl-2-methyl-1(2H)-isoquinolinone?
You can request a quote for 5-Benzoyl-2-methyl-1(2H)-isoquinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzoyl-2-methyl-1(2H)-isoquinolinone?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzoyl-2-methyl-1(2H)-isoquinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.