ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate
TL;DR: ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate (CAS 425606-07-1) is a chemical compound with molecular formula C16H16ClNO5 and molecular weight 337.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate
Also Known As: ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate, ethyl [3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetate, ethyl 2-[3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate
| Molecular Formula | C16H16ClNO5 |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 2.1875 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.0717 |
| Heavy Atoms | 23 |
| Complexity | 680.21594 |
Chemical Identifiers
| CAS Number | 425606-07-1 |
|---|---|
| SMILES | CCOC(=O)CN1C(C(=C(C1=O)O)C(=O)C)C2=CC=C(C=C2)Cl |
Product Overview
ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate (CAS 425606-07-1), with molecular formula C16H16ClNO5 and molecular weight 337.07 g/mol. IUPAC: ethyl 2-[3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate.
Chemical Property Profile of ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate
Property Insights of ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate
The XLogP value of 2.1875 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-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 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate?
The CAS number of ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate is 425606-07-1.
What is the molecular formula of ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate?
The molecular formula of ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate is C16H16ClNO5.
What is the molecular weight of ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate?
The molecular weight of ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate is 337.07 g/mol.
Where can I buy ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate?
You can request a quote for ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-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 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.