Ethyl 4-hydroxycyclohexanecarboxylate
TL;DR: Ethyl 4-hydroxycyclohexanecarboxylate (CAS 17159-80-7) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-hydroxycyclohexane-1-carboxylate
Also Known As: Ethyl 4-hydroxycyclohexanecarboxylate, cis-Ethyl 4-hydroxycyclohexanecarboxylate, trans-ethyl 4-hydroxycyclohexanecarboxylate, ethyl 4-hydroxycyclohexane-1-carboxylate, Ethyl trans-4-Hydroxycyclohexanecarboxylate
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 17159-80-7 |
|---|---|
| SMILES | CCOC(=O)C1CCC(CC1)O |
| InChIKey | BZKQJSLASWRDNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-hydroxycyclohexanecarboxylate (CAS 17159-80-7), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: ethyl 4-hydroxycyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl 4-hydroxycyclohexanecarboxylate
Property Insights of Ethyl 4-hydroxycyclohexanecarboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxycyclohexanecarboxylate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 4-hydroxycyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-hydroxycyclohexanecarboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl 4-hydroxycyclohexanecarboxylate?
The CAS number of Ethyl 4-hydroxycyclohexanecarboxylate is 17159-80-7.
What is the molecular formula of Ethyl 4-hydroxycyclohexanecarboxylate?
The molecular formula of Ethyl 4-hydroxycyclohexanecarboxylate is C9H16O3.
What is the molecular weight of Ethyl 4-hydroxycyclohexanecarboxylate?
The molecular weight of Ethyl 4-hydroxycyclohexanecarboxylate is 172.11 g/mol.
Where can I buy Ethyl 4-hydroxycyclohexanecarboxylate?
You can request a quote for Ethyl 4-hydroxycyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-hydroxycyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxycyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.