(1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid
TL;DR: (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid (CAS 117580-15-1) is a chemical compound with molecular formula C10H12O6 and molecular weight 228.06339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-carboxy-2-hydroxyethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
Also Known As: Prephenyllactate, (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid, 1-(2-carboxy-2-hydroxyethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid, 2,5-Cyclohexadiene-1-propanoic acid, 1-carboxy-alpha, 4-dihydroxy-, (1(R)-cis)-, 1-(2,3-dihydroxy-3-oxopropyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
Technical Specifications
| Molecular Formula | C10H12O6 |
| Molecular Weight | 228.06339 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.06339 Da |
| Heavy Atoms | 16 |
| Complexity | 342.0 |
| SMILES | C1=CC(C=CC1O)(CC(C(=O)O)O)C(=O)O |
| InChIKey | NJHQXJPGTQOYFN-UHFFFAOYSA-N |
Chemical Property Profile of (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid
Property Insights of (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid
The XLogP value of -0.6 indicates that (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid. Following Lipinski's Rule of Five, (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid?
The CAS number of (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid is 117580-15-1.
What is the molecular formula of (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid?
The molecular formula of (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid is C10H12O6.
What is the molecular weight of (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid?
The molecular weight of (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid is 228.06339 g/mol.
Where can I buy (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid?
You can request a quote for (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid?
Yes, CoreyChem provides custom synthesis services for (1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-yl)lactic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.