Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate
TL;DR: Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate (CAS 83465-27-4) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate
Also Known As: ethyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate, J3.265.807E, Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate, ethyl 2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate, ETHYL 2-(3-OXO-1H-ISOBENZOFURAN-1-YL)ACETATE
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 83465-27-4 |
|---|---|
| SMILES | CCOC(=O)CC1C2=CC=CC=C2C(=O)O1 |
| InChIKey | BAJHDQGDIOXFJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate (CAS 83465-27-4), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: ethyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate.
Chemical Property Profile of Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate
Property Insights of Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate has 0 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 Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate?
The CAS number of Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate is 83465-27-4.
What is the molecular formula of Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate?
The molecular formula of Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate is C12H12O4.
What is the molecular weight of Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate?
The molecular weight of Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate is 220.07 g/mol.
Where can I buy Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate?
You can request a quote for Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.