![(Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid structure](/static/products/864/864752-08-9.png)
(Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid
TL;DR: (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid (CAS 864752-08-9) is a chemical compound with molecular formula C21H17NO8 and molecular weight 411.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]propanoic acid
Also Known As: (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid, 3-[[2-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]propanoic acid, 3-[[2-[2-(benzo[1,3]dioxol-5-ylmethylidene)-3-oxo-benzofuran-6-yl]oxyacetyl]amino]propanoic Acid, N-({[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-beta-alanine
| Molecular Formula | C21H17NO8 |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | 2.0012 |
| Topological Polar Surface Area | 120.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.09543 |
| Heavy Atoms | 30 |
| Complexity | 1058.967 |
Chemical Identifiers
| CAS Number | 864752-08-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)C4=C(O3)C=C(C=C4)OCC(=O)NCCC(=O)O |
Product Overview
(Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid (CAS 864752-08-9), with molecular formula C21H17NO8 and molecular weight 411.10 g/mol. IUPAC: 3-[[2-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]propanoic acid.
Chemical Property Profile of (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid
Property Insights of (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid
The XLogP value of 2.0012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-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 (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid. Following Lipinski's Rule of Five, (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-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 (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid?
The CAS number of (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid is 864752-08-9.
What is the molecular formula of (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid?
The molecular formula of (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid is C21H17NO8.
What is the molecular weight of (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid?
The molecular weight of (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid is 411.10 g/mol.
Where can I buy (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid?
You can request a quote for (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-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 (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(2-((2-(benzo[d][1,3]dioxol-5-ylmethylene)-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.