(Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
TL;DR: (Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 858764-52-0) is a chemical compound with molecular formula C21H20O5 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(2Z)-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetate
Also Known As: (Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate, F3139-2053, methyl 2-{[(2Z)-3-oxo-2-{[4-(propan-2-yl)phenyl]methylidene}-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate, methyl 2-[[(2Z)-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetate, methyl ({(2Z)-3-oxo-2-[4-(propan-2-yl)benzylidene]-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
| Molecular Formula | C21H20O5 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 3.978 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.13107 |
| Heavy Atoms | 26 |
| Complexity | 862.4702 |
Chemical Identifiers
| CAS Number | 858764-52-0 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC(=O)OC |
Product Overview
(Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 858764-52-0), with molecular formula C21H20O5 and molecular weight 352.13 g/mol. IUPAC: methyl 2-[[(2Z)-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetate.
Chemical Property Profile of (Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
Property Insights of (Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
The XLogP value of 3.978 indicates that (Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate. Following Lipinski's Rule of Five, (Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate has 0 hydrogen bond donor(s) and 5 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)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The CAS number of (Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 858764-52-0.
What is the molecular formula of (Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular formula of (Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is C21H20O5.
What is the molecular weight of (Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular weight of (Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 352.13 g/mol.
Where can I buy (Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
You can request a quote for (Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-((2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.