![[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid structure](/static/products/1161/116153-78-7.webp)
[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid
TL;DR: [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid (CAS 116153-78-7) is a chemical compound with molecular formula C12H9NO5 and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2,5-dioxopyrrol-1-yl)phenoxy]acetic acid
Also Known As: BIM-0026783.P001, 2-[4-(2,5-dioxopyrrol-1-yl)phenoxy]acetic acid, 2-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]acetate, 2-(4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy)acetic acid, [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid
| Molecular Formula | C12H9NO5 |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.04807 |
| Heavy Atoms | 18 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 116153-78-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)C=CC2=O)OCC(=O)O |
| InChIKey | ZBHBFVSTGWYUJR-UHFFFAOYSA-N |
Product Overview
[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid (CAS 116153-78-7), with molecular formula C12H9NO5 and molecular weight 247.05 g/mol. IUPAC: 2-[4-(2,5-dioxopyrrol-1-yl)phenoxy]acetic acid.
Chemical Property Profile of [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid
Property Insights of [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid. Following Lipinski's Rule of Five, [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid has 1 hydrogen bond donor(s) and 5 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 [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid?
The CAS number of [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid is 116153-78-7.
What is the molecular formula of [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid?
The molecular formula of [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid is C12H9NO5.
What is the molecular weight of [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid?
The molecular weight of [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid is 247.05 g/mol.
Where can I buy [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid?
You can request a quote for [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenoxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.