(2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate
TL;DR: (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate (CAS 622798-56-5) is a chemical compound with molecular formula C27H22O7 and molecular weight 458.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate
Also Known As: (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate, (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate, [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate, 2-((2E)-3-phenylprop-2-enylidene)-3-oxobenzo[3,4-b]furan-6-yl 3,4,5-trimethoxy benzoate, (2Z)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-6-yl 3,4,5-trimethoxybenzoate
| Molecular Formula | C27H22O7 |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 5.104 |
| Topological Polar Surface Area | 80.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.13657 |
| Heavy Atoms | 34 |
| Complexity | 1264.5808 |
Chemical Identifiers
| CAS Number | 622798-56-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C=C/C4=CC=CC=C4)/O3 |
Product Overview
(2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate (CAS 622798-56-5), with molecular formula C27H22O7 and molecular weight 458.14 g/mol. IUPAC: [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate
Property Insights of (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate
The XLogP value of 5.104 indicates that (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate 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 (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate?
The CAS number of (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate is 622798-56-5.
What is the molecular formula of (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate?
The molecular formula of (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate is C27H22O7.
What is the molecular weight of (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate?
The molecular weight of (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate is 458.14 g/mol.
Where can I buy (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate?
You can request a quote for (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-cinnamylidene-3-oxo-benzofuran-6-yl) 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.