Cyclohexanecarboxylic acid, 2-hydroxyethyl ester
TL;DR: Cyclohexanecarboxylic acid, 2-hydroxyethyl ester (CAS 16179-44-5) 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-hydroxyethyl cyclohexanecarboxylate
Also Known As: 2-Hydroxyethyl cyclohexanecarboxylate, Cyclohexanecarboxylic acid, 2-hydroxyethyl ester, AI3-70087, AI-3-70087, Ethyl cis-2-hydroxy-1-cyclohexanecarboxylate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.10994 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.10994 Da |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
| SMILES | C1CCC(CC1)C(=O)OCCO |
| InChIKey | HNBNKZUJQWPLIO-UHFFFAOYSA-N |
Chemical Property Profile of Cyclohexanecarboxylic acid, 2-hydroxyethyl ester
Property Insights of Cyclohexanecarboxylic acid, 2-hydroxyethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanecarboxylic acid, 2-hydroxyethyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, Cyclohexanecarboxylic acid, 2-hydroxyethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 2-hydroxyethyl ester has 1 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 Cyclohexanecarboxylic acid, 2-hydroxyethyl ester?
The CAS number of Cyclohexanecarboxylic acid, 2-hydroxyethyl ester is 16179-44-5.
What is the molecular formula of Cyclohexanecarboxylic acid, 2-hydroxyethyl ester?
The molecular formula of Cyclohexanecarboxylic acid, 2-hydroxyethyl ester is C9H16O3.
What is the molecular weight of Cyclohexanecarboxylic acid, 2-hydroxyethyl ester?
The molecular weight of Cyclohexanecarboxylic acid, 2-hydroxyethyl ester is 172.10994 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 2-hydroxyethyl ester?
You can request a quote for Cyclohexanecarboxylic acid, 2-hydroxyethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclohexanecarboxylic acid, 2-hydroxyethyl ester?
Yes, CoreyChem provides custom synthesis services for Cyclohexanecarboxylic acid, 2-hydroxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.