2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate
TL;DR: 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate (CAS 20627-81-0) 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.
[2-(2,5-dioxopyrrol-1-yl)phenyl] acetate
Also Known As: N-(2-Acetoxyphenyl)maleimide, 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate, 2-(2,5-dioxoazolinyl)phenyl acetate, SDCCGMLS-0065696.P001, [2-(2,5-dioxopyrrol-1-yl)phenyl] acetate
| Molecular Formula | C12H9NO4 |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 1.0413 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.05316 |
| Heavy Atoms | 17 |
| Complexity | 515.0621 |
Chemical Identifiers
| CAS Number | 20627-81-0 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1N2C(=O)C=CC2=O |
Product Overview
2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate (CAS 20627-81-0), with molecular formula C12H9NO4 and molecular weight 231.05 g/mol. IUPAC: [2-(2,5-dioxopyrrol-1-yl)phenyl] acetate.
Chemical Property Profile of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate
Property Insights of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate
The XLogP value of 1.0413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate. Following Lipinski's Rule of Five, 2-(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 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate?
The CAS number of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate is 20627-81-0.
What is the molecular formula of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate?
The molecular formula of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate is C12H9NO4.
What is the molecular weight of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate?
The molecular weight of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate is 231.05 g/mol.
Where can I buy 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate?
You can request a quote for 2-(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 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(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.