(Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate
TL;DR: (Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate (CAS 858770-41-9) is a chemical compound with molecular formula C27H22O4 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate
Also Known As: (Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate, (2Z)-3-oxo-2-[4-(propan-2-yl)benzylidene]-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate, [(2Z)-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate, 2-{[4-(methylethyl)phenyl]methylene}-3-oxobenzo[3,4-b]furan-6-yl (2E)-3-phenyl prop-2-enoate
| Molecular Formula | C27H22O4 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 6.045 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.1518 |
| Heavy Atoms | 31 |
| Complexity | 1169.6182 |
Chemical Identifiers
| CAS Number | 858770-41-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)/C=C/C4=CC=CC=C4 |
Product Overview
(Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate (CAS 858770-41-9), with molecular formula C27H22O4 and molecular weight 410.15 g/mol. IUPAC: [(2Z)-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of (Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate
Property Insights of (Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate
The XLogP value of 6.045 indicates that (Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate 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)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate?
The CAS number of (Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate is 858770-41-9.
What is the molecular formula of (Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate?
The molecular formula of (Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate is C27H22O4.
What is the molecular weight of (Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate?
The molecular weight of (Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate is 410.15 g/mol.
Where can I buy (Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate?
You can request a quote for (Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.