(Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate
TL;DR: (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate (CAS 622359-79-9) is a chemical compound with molecular formula C21H18O4 and molecular weight 334.12 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] 2-methylpropanoate
Also Known As: (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate, [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 2-methylpropanoate, 2-((2E)-3-phenylprop-2-enylidene)-3-oxobenzo[3,4-b]furan-6-yl 2-methylpropanoa te, (2Z)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate
| Molecular Formula | C21H18O4 |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | 4.4204 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.1205 |
| Heavy Atoms | 25 |
| Complexity | 860.7197 |
Chemical Identifiers
| CAS Number | 622359-79-9 |
|---|---|
| SMILES | CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C=C/C3=CC=CC=C3)/O2 |
Product Overview
(Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate (CAS 622359-79-9), with molecular formula C21H18O4 and molecular weight 334.12 g/mol. IUPAC: [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 2-methylpropanoate.
Chemical Property Profile of (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate
Property Insights of (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate
The XLogP value of 4.4204 indicates that (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate 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 (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate?
The CAS number of (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate is 622359-79-9.
What is the molecular formula of (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate?
The molecular formula of (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate is C21H18O4.
What is the molecular weight of (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate?
The molecular weight of (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate is 334.12 g/mol.
Where can I buy (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate?
You can request a quote for (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.