4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate
TL;DR: 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate (CAS 7621-72-9) is a chemical compound with molecular formula C12H9NO4 and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,5-dioxopyrrol-1-yl)phenyl] acetate
Also Known As: [4- phenyl]acetate|N-p-acetoxyphenylmaleimide|N-(4-acetoxyphenyl)maleimide|N-4-acetoxy phenyl maleimide|N-(4-acetoxylphenyl)maleimide|[4-(2,5-dioxopyrrol-1-yl)phenyl] acetate|4-(2,5-dioxoazolinyl)phenyl acetate|1h-pyrrole-2,5-dione, 1-[4-(acetyloxy)phenyl]-|4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate|BAS 00040738|1-(4-Acetoxyphenyl)-1H-pyrrole-2,5-dione|4-(2,5-DIOXOPYRROL-1-YL)PHENYL ACETATE|Dihydropyrrol-2,5-dione, N-[4-acetoxyphenyl]-|1H-Pyrrole-2,5-dione,1-[4-(acetyloxy)phenyl]-|Acetic acid 4-(2,5-dioxo-3-pyrroline-1-yl)phenyl ester|4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate #|Acetic acid 4-(2,5-dioxo-2,5-dihydro-pyrrol-1-yl)-phenyl ester
| Molecular Formula | C12H9NO4 |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.05316 |
| Heavy Atoms | 17 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 7621-72-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)N2C(=O)C=CC2=O |
| InChIKey | QTRJOLFWYFCHQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate (CAS 7621-72-9), with molecular formula C12H9NO4 and molecular weight 231.05 g/mol. IUPAC: [4-(2,5-dioxopyrrol-1-yl)phenyl] acetate.
Chemical Property Profile of 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate
Property Insights of 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate. Following Lipinski's Rule of Five, 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate has 0 hydrogen bond donor(s) and 4 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)phenyl acetate?
The CAS number of 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate is 7621-72-9.
What is the molecular formula of 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate?
The molecular formula of 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate is C12H9NO4.
What is the molecular weight of 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate?
The molecular weight of 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate is 231.05 g/mol.
Where can I buy 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate?
You can request a quote for 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate 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)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.