环己基甲基异戊酸酯
TL;DR: 环己基甲基异戊酸酯 (CAS 15840-95-6) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环己基甲基异戊酸酯
cyclohexylmethyl 3-methylbutanoate
Also Known As: Cyclohexylmethyl isovalerate, cyclohexylmethyl 3-methylbutanoate, 3-Methylbutyric acid cyclohexylmethyl ester, EINECS 239-944-5
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 15840-95-6 |
|---|---|
| SMILES | CC(C)CC(=O)OCC1CCCCC1 |
| InChIKey | OPKFCIJVNFYFCT-UHFFFAOYSA-N |
Product Overview
环己基甲基异戊酸酯 (CAS 15840-95-6), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: cyclohexylmethyl 3-methylbutanoate.
Chemical Property Profile of 环己基甲基异戊酸酯
Property Insights of 环己基甲基异戊酸酯
The XLogP value of 3.8 indicates that 环己基甲基异戊酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 环己基甲基异戊酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环己基甲基异戊酸酯 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 环己基甲基异戊酸酯?
The CAS number of 环己基甲基异戊酸酯 is 15840-95-6.
What is the molecular formula of 环己基甲基异戊酸酯?
The molecular formula of 环己基甲基异戊酸酯 is C12H22O2.
What is the molecular weight of 环己基甲基异戊酸酯?
The molecular weight of 环己基甲基异戊酸酯 is 198.16 g/mol.
Where can I buy 环己基甲基异戊酸酯?
You can request a quote for 环己基甲基异戊酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环己基甲基异戊酸酯?
Yes, KEHONG BIO provides custom synthesis services for 环己基甲基异戊酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.