Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)-
TL;DR: Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)- (CAS 64077-18-5) is a chemical compound with molecular formula C16H11NO3 and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-oxo-2H-isoquinolin-3-yl)benzoic acid
Also Known As: 2-(1-oxo-2H-isoquinolin-3-yl)benzoic Acid, 2-(1-Hydroxyisoquinolin-3-yl)benzoic acid, Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)-
| Molecular Formula | C16H11NO3 |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.07388 |
| Heavy Atoms | 20 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 64077-18-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(NC2=O)C3=CC=CC=C3C(=O)O |
| InChIKey | OEAKHZDUMHCHGE-UHFFFAOYSA-N |
Product Overview
Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)- (CAS 64077-18-5), with molecular formula C16H11NO3 and molecular weight 265.07 g/mol. IUPAC: 2-(1-oxo-2H-isoquinolin-3-yl)benzoic acid.
Chemical Property Profile of Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)-
Property Insights of Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)-. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)-. Following Lipinski's Rule of Five, Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)- has 2 hydrogen bond donor(s) and 3 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 Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)-?
The CAS number of Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)- is 64077-18-5.
What is the molecular formula of Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)-?
The molecular formula of Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)- is C16H11NO3.
What is the molecular weight of Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)-?
The molecular weight of Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)- is 265.07 g/mol.
Where can I buy Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)-?
You can request a quote for Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoicc acid, 2-(1,2-dihydro-1-oxo-3-isoquinolinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.