环己烷甲酸甲酯
TL;DR: 环己烷甲酸甲酯 (CAS 4630-82-4) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环己烷甲酸甲酯
methyl cyclohexanecarboxylate
Also Known As: Methyl cyclohexanecarboxylate, Methyl cyclohexanoate, vanilla carboxylate, Methyl cyclohexylformate, Methyl hexahydrobenzoate
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
| Boiling Point | 183.00 °C. @ 760.00 mm Hg |
| Density | 0.990-0.999 |
| Solubility | Insoluble in water; miscible in fat |
| Refractive Index | 1.439-1.447 |
Chemical Identifiers
| CAS Number | 4630-82-4 |
|---|---|
| SMILES | COC(=O)C1CCCCC1 |
| InChIKey | ZQWPRMPSCMSAJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环己烷甲酸甲酯 (CAS 4630-82-4), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: methyl cyclohexanecarboxylate.
Chemical Property Profile of 环己烷甲酸甲酯
Property Insights of 环己烷甲酸甲酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环己烷甲酸甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, 环己烷甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环己烷甲酸甲酯 has 0 hydrogen bond donor(s) and 2 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 环己烷甲酸甲酯?
The CAS number of 环己烷甲酸甲酯 is 4630-82-4.
What is the molecular formula of 环己烷甲酸甲酯?
The molecular formula of 环己烷甲酸甲酯 is C8H14O2.
What is the molecular weight of 环己烷甲酸甲酯?
The molecular weight of 环己烷甲酸甲酯 is 142.10 g/mol.
Where can I buy 环己烷甲酸甲酯?
You can request a quote for 环己烷甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环己烷甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 环己烷甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.