Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate
TL;DR: Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate (CAS 3453-60-9) is a chemical compound with molecular formula C11H10O4 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate
Also Known As: Methyl Phthalide-3-acetate, TimTec1_007141, phthalidyl-acetic acid methyl ester, BAS 00226219, methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.4612 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 410.80386 |
Chemical Identifiers
| CAS Number | 3453-60-9 |
|---|---|
| SMILES | COC(=O)CC1C2=CC=CC=C2C(=O)O1 |
Product Overview
Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate (CAS 3453-60-9), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate.
Chemical Property Profile of Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate
Property Insights of Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate
The XLogP value of 1.4612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl (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, Methyl (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 Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate?
The CAS number of Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate is 3453-60-9.
What is the molecular formula of Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate?
The molecular formula of Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate is C11H10O4.
What is the molecular weight of Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate?
The molecular weight of Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate is 206.06 g/mol.
Where can I buy Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate?
You can request a quote for Methyl (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 Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.