(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate
TL;DR: (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate (CAS 94475-69-1) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dioxopyrrol-1-yl)methyl propanoate
Also Known As: (2,5-dioxopyrrol-1-yl)methyl propanoate, (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate, N-propionyloxymethyl-maleimide, 1-(propoxymethyl)maleimide, NCIStruc1_000245
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 94475-69-1 |
|---|---|
| SMILES | CCC(=O)OCN1C(=O)C=CC1=O |
| InChIKey | YXEWPGYLMHXLPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate (CAS 94475-69-1), with molecular formula C8H9NO4 and molecular weight 183.05 g/mol. IUPAC: (2,5-dioxopyrrol-1-yl)methyl propanoate.
Chemical Property Profile of (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate
Property Insights of (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate
The XLogP value of -0.1 indicates that (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate. Following Lipinski's Rule of Five, (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate 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 (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate?
The CAS number of (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate is 94475-69-1.
What is the molecular formula of (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate?
The molecular formula of (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate is C8H9NO4.
What is the molecular weight of (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate?
The molecular weight of (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate is 183.05 g/mol.
Where can I buy (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate?
You can request a quote for (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate?
Yes, KEHONG BIO provides custom synthesis services for (2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.