1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid
TL;DR: 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid (CAS 4792-28-3) is a chemical compound with molecular formula C9H6O4 and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-1H-2-benzofuran-4-carboxylic acid
Also Known As: Phthalide-7-carboxylic acid, 1,3-dihydro-3-oxo-4-isobenzofurancarboxylic acid, 3-oxo-1,3-dihydro-2-benzofuran-4-carboxylic acid, 3-oxo-1H-2-benzofuran-4-carboxylic acid, 993-300-4
| Molecular Formula | C9H6O4 |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 1.0552 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.02661 |
| Heavy Atoms | 13 |
| Complexity | 394.60123 |
Chemical Identifiers
| CAS Number | 4792-28-3 |
|---|---|
| SMILES | C1C2=C(C(=CC=C2)C(=O)O)C(=O)O1 |
Product Overview
1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid (CAS 4792-28-3), with molecular formula C9H6O4 and molecular weight 178.03 g/mol. IUPAC: 3-oxo-1H-2-benzofuran-4-carboxylic acid.
Chemical Property Profile of 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid
Property Insights of 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid
The XLogP value of 1.0552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid. Following Lipinski's Rule of Five, 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic 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 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid?
The CAS number of 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid is 4792-28-3.
What is the molecular formula of 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid?
The molecular formula of 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid is C9H6O4.
What is the molecular weight of 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid?
The molecular weight of 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid is 178.03 g/mol.
Where can I buy 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid?
You can request a quote for 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-3-oxo-4-isobenzofurancarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.