1-Methyl-2-oxo-4-hydroquinolyl benzoate
TL;DR: 1-Methyl-2-oxo-4-hydroquinolyl benzoate (CAS 78859-83-3) is a chemical compound with molecular formula C17H13NO3 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-2-oxoquinolin-4-yl) benzoate
Also Known As: (1-methyl-2-oxoquinolin-4-yl) benzoate, 1-methyl-2-oxo-4-hydroquinolyl benzoate, (1-methyl-2-oxo-quinolin-4-yl) Benzoate, 1-Methyl-2-oxo-1,2-dihydroquinolin-4-yl benzoate, doi:10.14272/PWOZFWCPCCAGPJ-UHFFFAOYSA-N.1
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 2.7577 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 866.08765 |
Chemical Identifiers
| CAS Number | 78859-83-3 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=CC1=O)OC(=O)C3=CC=CC=C3 |
Product Overview
1-Methyl-2-oxo-4-hydroquinolyl benzoate (CAS 78859-83-3), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: (1-methyl-2-oxoquinolin-4-yl) benzoate.
Chemical Property Profile of 1-Methyl-2-oxo-4-hydroquinolyl benzoate
Property Insights of 1-Methyl-2-oxo-4-hydroquinolyl benzoate
The XLogP value of 2.7577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-oxo-4-hydroquinolyl benzoate. With a topological polar surface area (TPSA) of 48.3 Ų, 1-Methyl-2-oxo-4-hydroquinolyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-oxo-4-hydroquinolyl benzoate has 0 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 1-Methyl-2-oxo-4-hydroquinolyl benzoate?
The CAS number of 1-Methyl-2-oxo-4-hydroquinolyl benzoate is 78859-83-3.
What is the molecular formula of 1-Methyl-2-oxo-4-hydroquinolyl benzoate?
The molecular formula of 1-Methyl-2-oxo-4-hydroquinolyl benzoate is C17H13NO3.
What is the molecular weight of 1-Methyl-2-oxo-4-hydroquinolyl benzoate?
The molecular weight of 1-Methyl-2-oxo-4-hydroquinolyl benzoate is 279.09 g/mol.
Where can I buy 1-Methyl-2-oxo-4-hydroquinolyl benzoate?
You can request a quote for 1-Methyl-2-oxo-4-hydroquinolyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-oxo-4-hydroquinolyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-oxo-4-hydroquinolyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.