![3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid structure](/static/products/2948/294891-64-8.webp)
3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid
TL;DR: 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid (CAS 294891-64-8) is a chemical compound with molecular formula C17H12N2O7 and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]propanoic acid
Also Known As: BIM-0039469.P001, 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]propanoic acid, 3-(5-(4-nitrophenoxy)-1,3-dioxoisoindolin-2-yl)propanoic acid, 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid
| Molecular Formula | C17H12N2O7 |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 2.4578 |
| Topological Polar Surface Area | 127.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.06445 |
| Heavy Atoms | 26 |
| Complexity | 921.2087 |
Chemical Identifiers
| CAS Number | 294891-64-8 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O |
Product Overview
3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid (CAS 294891-64-8), with molecular formula C17H12N2O7 and molecular weight 356.06 g/mol. IUPAC: 3-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]propanoic acid.
Chemical Property Profile of 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid
Property Insights of 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid
The XLogP value of 2.4578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid. The TPSA of 127.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid has 1 hydrogen bond donor(s) and 6 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 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid?
The CAS number of 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid is 294891-64-8.
What is the molecular formula of 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid?
The molecular formula of 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid is C17H12N2O7.
What is the molecular weight of 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid?
The molecular weight of 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid is 356.06 g/mol.
Where can I buy 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid?
You can request a quote for 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.