Cyclohexanol, 2-methyl-, 1-propanoate
TL;DR: Cyclohexanol, 2-methyl-, 1-propanoate (CAS 5726-20-5) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylcyclohexyl) propanoate
Also Known As: 2-methylcyclohexyl propanoate, 2-Methylcyclohexyl propionate, (2-methylcyclohexyl) propanoate, Cyclohexanol, 2-methyl-, 1-propanoate, Propionic acid 2-methylcyclohexyl ester
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 5726-20-5 |
|---|---|
| SMILES | CCC(=O)OC1CCCCC1C |
| InChIKey | ROGMVGDZNVAXSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanol, 2-methyl-, 1-propanoate (CAS 5726-20-5), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: (2-methylcyclohexyl) propanoate.
Chemical Property Profile of Cyclohexanol, 2-methyl-, 1-propanoate
Property Insights of Cyclohexanol, 2-methyl-, 1-propanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanol, 2-methyl-, 1-propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexanol, 2-methyl-, 1-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanol, 2-methyl-, 1-propanoate 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 Cyclohexanol, 2-methyl-, 1-propanoate?
The CAS number of Cyclohexanol, 2-methyl-, 1-propanoate is 5726-20-5.
What is the molecular formula of Cyclohexanol, 2-methyl-, 1-propanoate?
The molecular formula of Cyclohexanol, 2-methyl-, 1-propanoate is C10H18O2.
What is the molecular weight of Cyclohexanol, 2-methyl-, 1-propanoate?
The molecular weight of Cyclohexanol, 2-methyl-, 1-propanoate is 170.13 g/mol.
Where can I buy Cyclohexanol, 2-methyl-, 1-propanoate?
You can request a quote for Cyclohexanol, 2-methyl-, 1-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanol, 2-methyl-, 1-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanol, 2-methyl-, 1-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.