4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid
TL;DR: 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid (CAS 53904-41-9) is a chemical compound with molecular formula C17H12O4 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-1-oxoisochromene-3-carboxylic acid
Also Known As: ChemDiv3_014102, 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid, 1-Oxo-4-(p-tolyl)-1H-isochromene-3-carboxylic acid, 4-(4-methylphenyl)-1-oxoisochromene-3-carboxylic acid, IDI1_029900
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 3.46662 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.07355 |
| Heavy Atoms | 21 |
| Complexity | 888.8023 |
Chemical Identifiers
| CAS Number | 53904-41-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)O |
Product Overview
4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid (CAS 53904-41-9), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: 4-(4-methylphenyl)-1-oxoisochromene-3-carboxylic acid.
Chemical Property Profile of 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid
Property Insights of 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid
The XLogP value of 3.46662 indicates that 4-(4-methylphenyl)-1-oxo-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 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid. Following Lipinski's Rule of Five, 4-(4-methylphenyl)-1-oxo-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 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid?
The CAS number of 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid is 53904-41-9.
What is the molecular formula of 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid?
The molecular formula of 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid is C17H12O4.
What is the molecular weight of 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid?
The molecular weight of 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid is 280.07 g/mol.
Where can I buy 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid?
You can request a quote for 4-(4-methylphenyl)-1-oxo-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 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.