![3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate structure](/static/products/622/622361-41-5.png)
3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate
TL;DR: 3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate (CAS 622361-41-5) is a chemical compound with molecular formula C25H20O7 and molecular weight 432.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] benzoate
Also Known As: (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl benzoate, [3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]benzofuran-6-yl] Benzoate, (2Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl benzoate, [(2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] benzoate, 3-oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate
| Molecular Formula | C25H20O7 |
|---|---|
| Molecular Weight | 432.12 g/mol |
| LogP | 4.5478 |
| Topological Polar Surface Area | 80.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.1209 |
| Heavy Atoms | 32 |
| Complexity | 1212.4601 |
Chemical Identifiers
| CAS Number | 622361-41-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CC=C4)OC)OC |
Product Overview
3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate (CAS 622361-41-5), with molecular formula C25H20O7 and molecular weight 432.12 g/mol. IUPAC: [(2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] benzoate.
Chemical Property Profile of 3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate
Property Insights of 3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate
The XLogP value of 4.5478 indicates that 3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate. Following Lipinski's Rule of Five, 3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate has 0 hydrogen bond donor(s) and 7 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-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate?
The CAS number of 3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate is 622361-41-5.
What is the molecular formula of 3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate?
The molecular formula of 3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate is C25H20O7.
What is the molecular weight of 3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate?
The molecular weight of 3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate is 432.12 g/mol.
Where can I buy 3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate?
You can request a quote for 3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]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-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.