(E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid
TL;DR: (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid (CAS 864751-94-0) is a chemical compound with molecular formula C22H21NO8 and molecular weight 427.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]propanoic acid
Also Known As: (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid, 3-[[2-[[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]propanoic acid, 3-[[2-[2-[(2,5-dimethoxyphenyl)methylidene]-3-oxo-benzofuran-6-yl]oxyacetyl]amino]propanoic Acid, N-({[(2E)-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-beta-alanine
| Molecular Formula | C22H21NO8 |
|---|---|
| Molecular Weight | 427.13 g/mol |
| LogP | 2.2897 |
| Topological Polar Surface Area | 120.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 427.1267 |
| Heavy Atoms | 31 |
| Complexity | 1043.8016 |
Chemical Identifiers
| CAS Number | 864751-94-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)/C=C/2\C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NCCC(=O)O |
Product Overview
(E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid (CAS 864751-94-0), with molecular formula C22H21NO8 and molecular weight 427.13 g/mol. IUPAC: 3-[[2-[[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]propanoic acid.
Chemical Property Profile of (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid
Property Insights of (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid
The XLogP value of 2.2897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid. The TPSA of 120.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid. Following Lipinski's Rule of Five, (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid has 2 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 (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid?
The CAS number of (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid is 864751-94-0.
What is the molecular formula of (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid?
The molecular formula of (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid is C22H21NO8.
What is the molecular weight of (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid?
The molecular weight of (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid is 427.13 g/mol.
Where can I buy (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid?
You can request a quote for (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2-((2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.