(Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
TL;DR: (Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 859658-85-8) is a chemical compound with molecular formula C21H20O7 and molecular weight 384.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-1-benzofuran-6-yl]oxy]acetate
Also Known As: (Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate, F3385-2329, methyl 2-{[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate, methyl 2-[[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-1-benzofuran-6-yl]oxy]acetate, methyl {[(2Z)-2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate
| Molecular Formula | C21H20O7 |
|---|---|
| Molecular Weight | 384.12 g/mol |
| LogP | 3.18022 |
| Topological Polar Surface Area | 80.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.1209 |
| Heavy Atoms | 28 |
| Complexity | 959.46674 |
Chemical Identifiers
| CAS Number | 859658-85-8 |
|---|---|
| SMILES | CC1=C(C=CC2=C1O/C(=C\C3=CC(=C(C=C3)OC)OC)/C2=O)OCC(=O)OC |
Product Overview
(Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate (CAS 859658-85-8), with molecular formula C21H20O7 and molecular weight 384.12 g/mol. IUPAC: methyl 2-[[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-1-benzofuran-6-yl]oxy]acetate.
Chemical Property Profile of (Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
Property Insights of (Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
The XLogP value of 3.18022 indicates that (Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-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 80.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate. Following Lipinski's Rule of Five, (Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate has 0 hydrogen bond donor(s) and 7 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-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The CAS number of (Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 859658-85-8.
What is the molecular formula of (Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular formula of (Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is C21H20O7.
What is the molecular weight of (Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
The molecular weight of (Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate is 384.12 g/mol.
Where can I buy (Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
You can request a quote for (Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-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-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-((2-(3,4-dimethoxybenzylidene)-7-methyl-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.