(Z)-methyl 2-((2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
TL;DR: (Z)-methyl 2-((2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 847161-30-2) is a chemical compound with molecular formula C18H12Cl2O5 and molecular weight 378.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(2Z)-2-[(2,6-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
Also Known As: (Z)-methyl 2-((2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate, F3139-2051, methyl 2-[[(2Z)-2-[(2,6-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate, methyl 2-{[(2Z)-2-[(2,6-dichlorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate, methyl {[(2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate
| Molecular Formula | C18H12Cl2O5 |
|---|---|
| Molecular Weight | 378.01 g/mol |
| LogP | 4.1614 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.00616 |
| Heavy Atoms | 25 |
| Complexity | 868.78033 |
Chemical Identifiers
| CAS Number | 847161-30-2 |
|---|---|
| SMILES | COC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=C(C=CC=C3Cl)Cl)/O2 |
Product Overview
(Z)-methyl 2-((2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 847161-30-2), with molecular formula C18H12Cl2O5 and molecular weight 378.01 g/mol. IUPAC: methyl 2-[[(2Z)-2-[(2,6-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate.
Chemical Property Profile of (Z)-methyl 2-((2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
Property Insights of (Z)-methyl 2-((2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
The XLogP value of 4.1614 indicates that (Z)-methyl 2-((2-(2,6-dichlorobenzylidene)-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-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate. Following Lipinski's Rule of Five, (Z)-methyl 2-((2-(2,6-dichlorobenzylidene)-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-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The CAS number of (Z)-methyl 2-((2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 847161-30-2.
What is the molecular formula of (Z)-methyl 2-((2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular formula of (Z)-methyl 2-((2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is C18H12Cl2O5.
What is the molecular weight of (Z)-methyl 2-((2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular weight of (Z)-methyl 2-((2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 378.01 g/mol.
Where can I buy (Z)-methyl 2-((2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
You can request a quote for (Z)-methyl 2-((2-(2,6-dichlorobenzylidene)-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-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-((2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.