![4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate structure](/static/products/406/406197-05-5.png)
4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate
TL;DR: 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate (CAS 406197-05-5) 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.
[4-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] acetate
Also Known As: (E)-4-((3-oxobenzofuran-2(3H)-ylidene)methyl)phenyl acetate, [4-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] acetate, 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate, Acetic acid 4-[3-oxo-3H-benzofuran-(2E)-ylidenemethyl]-phenyl ester, 4-{[(2E)-3-OXO-2,3-DIHYDRO-1-BENZOFURAN-2-YLIDENE]METHYL}PHENYL ACETATE
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 3.2281 |
| 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 | 741.6404 |
Chemical Identifiers
| CAS Number | 406197-05-5 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)/C=C/2\C(=O)C3=CC=CC=C3O2 |
Product Overview
4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate (CAS 406197-05-5), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: [4-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] acetate.
Chemical Property Profile of 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate
Property Insights of 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate
The XLogP value of 3.2281 indicates that 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl 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 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate?
The CAS number of 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate is 406197-05-5.
What is the molecular formula of 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate?
The molecular formula of 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate is C17H12O4.
What is the molecular weight of 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate?
The molecular weight of 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate is 280.07 g/mol.
Where can I buy 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate?
You can request a quote for 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-(3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.