Hexacyclonic Acid
TL;DR: Hexacyclonic Acid (CAS 7491-42-1) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(hydroxymethyl)cyclohexyl]acetic acid
Also Known As: Hexacyclonic acid, Hexacyclonate, Hexacyclonsaeure, Repriscal, Sodium hexacyclonate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.10994 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.10994 Da |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
| SMILES | C1CCC(CC1)(CC(=O)O)CO |
| InChIKey | WMJPAYUKEVEBCN-UHFFFAOYSA-N |
Chemical Property Profile of Hexacyclonic Acid
Property Insights of Hexacyclonic Acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexacyclonic Acid. With a topological polar surface area (TPSA) of 57.5 Ų, Hexacyclonic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexacyclonic Acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hexacyclonic Acid?
The CAS number of Hexacyclonic Acid is 7491-42-1.
What is the molecular formula of Hexacyclonic Acid?
The molecular formula of Hexacyclonic Acid is C9H16O3.
What is the molecular weight of Hexacyclonic Acid?
The molecular weight of Hexacyclonic Acid is 172.10994 g/mol.
Where can I buy Hexacyclonic Acid?
You can request a quote for Hexacyclonic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexacyclonic Acid?
Yes, CoreyChem provides custom synthesis services for Hexacyclonic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.