![3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate structure](/static/products/858/858767-39-2.png)
3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate
TL;DR: 3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate (CAS 858767-39-2) is a chemical compound with molecular formula C22H14O4 and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] benzoate
Also Known As: [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] benzoate|3-oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate|(Z)-2-benzylidene-3-oxo-2,3-dihydrobenzofuran-6-yl benzoate|(2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl benzoate
| Molecular Formula | C22H14O4 |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 4.522 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.0892 |
| Heavy Atoms | 26 |
| Complexity | 1004.82697 |
Chemical Identifiers
| CAS Number | 858767-39-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CC=C4 |
Product Overview
3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate (CAS 858767-39-2), with molecular formula C22H14O4 and molecular weight 342.09 g/mol. IUPAC: [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] benzoate.
Chemical Property Profile of 3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate
Property Insights of 3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate
The XLogP value of 4.522 indicates that 3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl 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, 3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl 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 3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate?
The CAS number of 3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate is 858767-39-2.
What is the molecular formula of 3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate?
The molecular formula of 3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate is C22H14O4.
What is the molecular weight of 3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate?
The molecular weight of 3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate is 342.09 g/mol.
Where can I buy 3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate?
You can request a quote for 3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-2-(phenylmethylene)benzo[3,4-b]furan-6-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.