(2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate
TL;DR: (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate (CAS 622360-21-8) is a chemical compound with molecular formula C21H20O4 and molecular weight 336.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2,2-dimethylpropanoate
Also Known As: (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate, (Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl pivalate, [(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2,2-dimethylpropanoate, 2-[(2-methylphenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2,2-dimethylpropanoa te
| Molecular Formula | C21H20O4 |
|---|---|
| Molecular Weight | 336.14 g/mol |
| LogP | 4.56272 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.13617 |
| Heavy Atoms | 25 |
| Complexity | 885.00934 |
Chemical Identifiers
| CAS Number | 622360-21-8 |
|---|---|
| SMILES | CC1=CC=CC=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C(C)(C)C |
Product Overview
(2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate (CAS 622360-21-8), with molecular formula C21H20O4 and molecular weight 336.14 g/mol. IUPAC: [(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2,2-dimethylpropanoate.
Chemical Property Profile of (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate
Property Insights of (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate
The XLogP value of 4.56272 indicates that (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate 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 (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate?
The CAS number of (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate is 622360-21-8.
What is the molecular formula of (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate?
The molecular formula of (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate is C21H20O4.
What is the molecular weight of (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate?
The molecular weight of (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate is 336.14 g/mol.
Where can I buy (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate?
You can request a quote for (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.