Methyl 2-hydroxycyclohexanecarboxylate
TL;DR: Methyl 2-hydroxycyclohexanecarboxylate (CAS 2236-11-5) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxycyclohexane-1-carboxylate
Also Known As: Methyl 2-hydroxycyclohexanecarboxylate, methyl 2-hydroxycyclohexane-1-carboxylate, 2-CARBOMETHOXYCYCLOHEXANOL, Methyl2-hydroxycyclohexanecarboxylate, METHYL HEXAHYDROSALICYLATE
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 2236-11-5 |
|---|---|
| SMILES | COC(=O)C1CCCCC1O |
| InChIKey | IAJQZEQYGUQTQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-hydroxycyclohexanecarboxylate (CAS 2236-11-5), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: methyl 2-hydroxycyclohexane-1-carboxylate.
Chemical Property Profile of Methyl 2-hydroxycyclohexanecarboxylate
Property Insights of Methyl 2-hydroxycyclohexanecarboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hydroxycyclohexanecarboxylate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 2-hydroxycyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-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 Methyl 2-hydroxycyclohexanecarboxylate?
The CAS number of Methyl 2-hydroxycyclohexanecarboxylate is 2236-11-5.
What is the molecular formula of Methyl 2-hydroxycyclohexanecarboxylate?
The molecular formula of Methyl 2-hydroxycyclohexanecarboxylate is C8H14O3.
What is the molecular weight of Methyl 2-hydroxycyclohexanecarboxylate?
The molecular weight of Methyl 2-hydroxycyclohexanecarboxylate is 158.09 g/mol.
Where can I buy Methyl 2-hydroxycyclohexanecarboxylate?
You can request a quote for Methyl 2-hydroxycyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hydroxycyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxycyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.