5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate
TL;DR: 5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate (CAS 89-47-4) is a chemical compound with molecular formula C15H28O2 and molecular weight 240.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylcyclohexyl) pentanoate
Also Known As: Menthyl valerate, Validol, Menthylvalerianat, Menthol pentanoate, MENTHYL PENTANOATE
| Molecular Formula | C15H28O2 |
|---|---|
| Molecular Weight | 240.21 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.20892 |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 89-47-4 |
|---|---|
| SMILES | CCCCC(=O)OC1CC(CCC1C(C)C)C |
| InChIKey | LCJPVSLESAPYMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate (CAS 89-47-4), with molecular formula C15H28O2 and molecular weight 240.21 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) pentanoate.
Chemical Property Profile of 5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate
Property Insights of 5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate
The XLogP value of 5.0 indicates that 5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate 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 5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate?
The CAS number of 5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate is 89-47-4.
What is the molecular formula of 5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate?
The molecular formula of 5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate is C15H28O2.
What is the molecular weight of 5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate?
The molecular weight of 5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate is 240.21 g/mol.
Where can I buy 5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate?
You can request a quote for 5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(propan-2-yl)cyclohexyl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.