ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate
TL;DR: ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate (CAS 220128-07-4) is a chemical compound with molecular formula C16H17NO5 and molecular weight 303.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)acetate
Also Known As: ethyl 2-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)acetate, ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate, ethyl 2-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate
| Molecular Formula | C16H17NO5 |
|---|---|
| Molecular Weight | 303.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.1107 |
| Heavy Atoms | 22 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 220128-07-4 |
|---|---|
| SMILES | CCOC(=O)CN1C(C(=C(C1=O)O)C(=O)C)C2=CC=CC=C2 |
| InChIKey | MINZQVNEJYVVBT-UHFFFAOYSA-N |
Product Overview
ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate (CAS 220128-07-4), with molecular formula C16H17NO5 and molecular weight 303.11 g/mol. IUPAC: ethyl 2-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)acetate.
Chemical Property Profile of ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate
Property Insights of ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate. Following Lipinski's Rule of Five, ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate 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 ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate?
The CAS number of ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate is 220128-07-4.
What is the molecular formula of ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate?
The molecular formula of ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate is C16H17NO5.
What is the molecular weight of ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate?
The molecular weight of ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate is 303.11 g/mol.
Where can I buy ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate?
You can request a quote for ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.