4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone
TL;DR: 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone (CAS 91498-84-9) is a chemical compound with molecular formula C12H9ClO4 and molecular weight 252.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-2-(4-chlorophenyl)-4-hydroxy-2H-furan-5-one
Also Known As: 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone, 3-acetyl-2-(4-chlorophenyl)-4-hydroxy-2H-furan-5-one, 4-acetyl-5-(4-chlorophenyl)-3-hydroxyfuran-2(5H)-one, 3-acetyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2-hydrofuran, 4-Acetyl-5-(4-chloro-phenyl)-3-hydroxy-5H-furan-2-one
| Molecular Formula | C12H9ClO4 |
|---|---|
| Molecular Weight | 252.02 g/mol |
| LogP | 2.339 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.01894 |
| Heavy Atoms | 17 |
| Complexity | 515.8121 |
Chemical Identifiers
| CAS Number | 91498-84-9 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)OC1C2=CC=C(C=C2)Cl)O |
Product Overview
4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone (CAS 91498-84-9), with molecular formula C12H9ClO4 and molecular weight 252.02 g/mol. IUPAC: 3-acetyl-2-(4-chlorophenyl)-4-hydroxy-2H-furan-5-one.
Chemical Property Profile of 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone
Property Insights of 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone
The XLogP value of 2.339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone. Following Lipinski's Rule of Five, 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone has 1 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-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone?
The CAS number of 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone is 91498-84-9.
What is the molecular formula of 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone?
The molecular formula of 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone is C12H9ClO4.
What is the molecular weight of 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone?
The molecular weight of 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone is 252.02 g/mol.
Where can I buy 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone?
You can request a quote for 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 4-acetyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.