3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid
TL;DR: 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid (CAS 156217-00-4) is a chemical compound with molecular formula C10H12O5 and molecular weight 212.06847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1-hydroxypropylidene)-3,5-dioxocyclohexane-1-carboxylic acid
Also Known As: Prohexadione, 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid, 3-hydroxy-5-oxo-4-propanoylcyclohex-3-ene-1-carboxylic acid, 3-Hydroxy-4-(1-oxopropyl)-5-oxo-3-cyclohexene-1-carboxylic acid, 4-(1-hydroxypropylidene)-3,5-dioxo-cyclohexane-1-carboxylic Acid
Technical Specifications
| Molecular Formula | C10H12O5 |
| Molecular Weight | 212.06847 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.06847 Da |
| Heavy Atoms | 15 |
| Complexity | 333.0 |
| SMILES | CCC(=C1C(=O)CC(CC1=O)C(=O)O)O |
| InChIKey | HLVQZEMFVYGIGH-UHFFFAOYSA-N |
Chemical Property Profile of 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid
Property Insights of 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid. Following Lipinski's Rule of Five, 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid?
The CAS number of 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid is 156217-00-4.
What is the molecular formula of 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid?
The molecular formula of 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid is C10H12O5.
What is the molecular weight of 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid?
The molecular weight of 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid is 212.06847 g/mol.
Where can I buy 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid?
You can request a quote for 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxy-5-oxo-4-propionylcyclohex-3-enecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.