2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one
TL;DR: 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one (CAS 121979-45-1) is a chemical compound with molecular formula C10H12O6 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-3-hydroxy-3-methyl-5-oxocyclopenten-1-yl) acetate
Also Known As: 2,3-Dhmceo, 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one, (2-acetyloxy-3-hydroxy-3-methyl-5-oxocyclopenten-1-yl) acetate, 2,3-diacetyl-4-hydroxy-4-methyl-2-cyclopenten-1-one, 3-Hydroxy-3-methyl-5-oxocyclopent-1-ene-1,2-diyl diacetate
| Molecular Formula | C10H12O6 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.06339 |
| Heavy Atoms | 16 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 121979-45-1 |
|---|---|
| SMILES | CC(=O)OC1=C(C(CC1=O)(C)O)OC(=O)C |
| InChIKey | NQLSXFKGWAWPNW-UHFFFAOYSA-N |
Product Overview
2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one (CAS 121979-45-1), with molecular formula C10H12O6 and molecular weight 228.06 g/mol. IUPAC: (2-acetyloxy-3-hydroxy-3-methyl-5-oxocyclopenten-1-yl) acetate.
Chemical Property Profile of 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one
Property Insights of 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one
The XLogP value of -1.0 indicates that 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one. Following Lipinski's Rule of Five, 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one has 1 hydrogen bond donor(s) and 6 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 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one?
The CAS number of 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one is 121979-45-1.
What is the molecular formula of 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one?
The molecular formula of 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one is C10H12O6.
What is the molecular weight of 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one?
The molecular weight of 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one is 228.06 g/mol.
Where can I buy 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one?
You can request a quote for 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Diacetyl-4-hydroxy-4-methylcyclopent-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.