1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid
TL;DR: 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid (CAS 946716-01-4) is a chemical compound with molecular formula C16H10O4 and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-4-phenylisochromene-3-carboxylic acid
Also Known As: 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid, 1-oxo-4-phenylisochromene-3-carboxylic acid, 1-oxo-4-phenyl-1H-2-benzopyran-3-carboxylic acid, 4-[2-(4-Methylphenoxy)ethyl]piperidine, 1-oxo-4-phenyl-isochromene-3-carboxylic Acid
| Molecular Formula | C16H10O4 |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 3.1582 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.05792 |
| Heavy Atoms | 20 |
| Complexity | 847.2299 |
Chemical Identifiers
| CAS Number | 946716-01-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)O |
Product Overview
1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid (CAS 946716-01-4), with molecular formula C16H10O4 and molecular weight 266.06 g/mol. IUPAC: 1-oxo-4-phenylisochromene-3-carboxylic acid.
Chemical Property Profile of 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid
Property Insights of 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid
The XLogP value of 3.1582 indicates that 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid. Following Lipinski's Rule of Five, 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid has 1 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-oxo-4-phenyl-1H-isochromene-3-carboxylic acid?
The CAS number of 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid is 946716-01-4.
What is the molecular formula of 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid?
The molecular formula of 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid is C16H10O4.
What is the molecular weight of 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid?
The molecular weight of 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid is 266.06 g/mol.
Where can I buy 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid?
You can request a quote for 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-oxo-4-phenyl-1H-isochromene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.