(5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid
TL;DR: (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid (CAS 144402-60-8) is a chemical compound with molecular formula C11H10O5 and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methoxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid
Also Known As: BAS 00226418, (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid, 2-(5-methoxy-3-oxohydroisobenzofuranyl)acetic acid, 2-(5-methoxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid, [5-(methyloxy)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]acetic acid
| Molecular Formula | C11H10O5 |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.05283 |
| Heavy Atoms | 16 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 144402-60-8 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(OC2=O)CC(=O)O |
| InChIKey | ZPIAUPQATODINZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid (CAS 144402-60-8), with molecular formula C11H10O5 and molecular weight 222.05 g/mol. IUPAC: 2-(5-methoxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid.
Chemical Property Profile of (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid
Property Insights of (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid. Following Lipinski's Rule of Five, (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid has 1 hydrogen bond donor(s) and 5 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 (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid?
The CAS number of (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid is 144402-60-8.
What is the molecular formula of (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid?
The molecular formula of (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid is C11H10O5.
What is the molecular weight of (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid?
The molecular weight of (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid is 222.05 g/mol.
Where can I buy (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid?
You can request a quote for (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-Methoxy-3-oxo-1,3-dihydro-isobenzofuran-1-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.