(S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid
TL;DR: (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid (CAS 956685-91-9) is a chemical compound with molecular formula C21H19NO8 and molecular weight 413.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-hydroxy-2-[[2-[[(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]propanoic acid
Also Known As: (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid, (2S)-3-hydroxy-2-[[2-[[(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]propanoic acid, N-({[(2Z)-2-(3-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-L-serine
| Molecular Formula | C21H19NO8 |
|---|---|
| Molecular Weight | 413.11 g/mol |
| LogP | 1.2519 |
| Topological Polar Surface Area | 131.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.11105 |
| Heavy Atoms | 30 |
| Complexity | 1013.816 |
Chemical Identifiers
| CAS Number | 956685-91-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC(=O)N[C@@H](CO)C(=O)O |
Product Overview
(S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid (CAS 956685-91-9), with molecular formula C21H19NO8 and molecular weight 413.11 g/mol. IUPAC: (2S)-3-hydroxy-2-[[2-[[(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]propanoic acid.
Chemical Property Profile of (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid
Property Insights of (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid
The XLogP value of 1.2519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid. The TPSA of 131.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid. Following Lipinski's Rule of Five, (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid has 3 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 (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid?
The CAS number of (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid is 956685-91-9.
What is the molecular formula of (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid?
The molecular formula of (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid is C21H19NO8.
What is the molecular weight of (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid?
The molecular weight of (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid is 413.11 g/mol.
Where can I buy (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid?
You can request a quote for (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-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 (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S,Z)-3-hydroxy-2-(2-((2-(3-methoxybenzylidene)-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.