![methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate structure](/static/products/967/967-17-9.png)
methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate
TL;DR: methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate (CAS 967-17-9) is a chemical compound with molecular formula C17H12O4 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate
Also Known As: 2-Phthalidylidenmethyl-benzoesaeure-methylester, 2-(3-oxo-3H-isobenzofuran-1-ylidenemethyl)-benzoic acid methyl ester
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 3.1417 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.07355 |
| Heavy Atoms | 21 |
| Complexity | 758.8904 |
Chemical Identifiers
| CAS Number | 967-17-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1/C=C\2/C3=CC=CC=C3C(=O)O2 |
Product Overview
methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate (CAS 967-17-9), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate.
Chemical Property Profile of methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate
Property Insights of methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate
The XLogP value of 3.1417 indicates that methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate 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 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate?
The CAS number of methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate is 967-17-9.
What is the molecular formula of methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate?
The molecular formula of methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate is C17H12O4.
What is the molecular weight of methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate?
The molecular weight of methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate is 280.07 g/mol.
Where can I buy methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate?
You can request a quote for methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.