1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid
TL;DR: 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid (CAS 77-95-2) is a chemical compound with molecular formula C7H12O6 and molecular weight 192.06339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
Also Known As: quinic acid, D-(-)-Quinic acid, Chinasaure, Kinic acid, Chinic acid
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12O6 |
| Molecular Weight | 192.06339 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.06339 Da |
| Heavy Atoms | 13 |
| Complexity | 203.0 |
| SMILES | C1C(C(C(CC1(C(=O)O)O)O)O)O |
| InChIKey | AAWZDTNXLSGCEK-UHFFFAOYSA-N |
Product Description
Applications: 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid (CAS 77-95-2) is a pharmaceutical intermediate with the molecular formula C7H12O6 and a molecular weight of 192.06 g/mol. Synonyms include quinic acid and D-(-)-Quinic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid
Property Insights of 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid
The XLogP value of -2.4 indicates that 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid has 5 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 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid?
The CAS number of 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid is 77-95-2.
What is the molecular formula of 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid?
The molecular formula of 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid is C7H12O6.
What is the molecular weight of 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid?
The molecular weight of 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid is 192.06339 g/mol.
What are the applications of 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid?
1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid?
You can request a quote for 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.