1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid
TL;DR: 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid (CAS 4743-58-2) is a chemical compound with molecular formula C10H8O4 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid
Also Known As: Phthalide-3-Acetic Acid, 3-Phthalideacetic acid, 2-(3-oxo-1,3-dihydroisobenzofuran-1-yl)acetic acid, Butylphthalide metabolite M1, Phthalidineacetic acid
| Molecular Formula | C10H8O4 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.04225 |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 4743-58-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)CC(=O)O |
| InChIKey | FJWKEFBYCZSVNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid (CAS 4743-58-2), with molecular formula C10H8O4 and molecular weight 192.04 g/mol. IUPAC: 2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid.
Chemical Property Profile of 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid
Property Insights of 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid. Following Lipinski's Rule of Five, 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid has 1 hydrogen bond donor(s) and 4 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-1-isobenzofuranacetic acid?
The CAS number of 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid is 4743-58-2.
What is the molecular formula of 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid?
The molecular formula of 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid is C10H8O4.
What is the molecular weight of 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid?
The molecular weight of 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid is 192.04 g/mol.
Where can I buy 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid?
You can request a quote for 1,3-Dihydro-3-oxo-1-isobenzofuranacetic 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-1-isobenzofuranacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.