4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate
TL;DR: 4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate (CAS 6948-96-5) is a chemical compound with molecular formula C14H24O2 and molecular weight 224.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-methylbutan-2-yl)cyclohexyl] prop-2-enoate
Also Known As: Substituted Acrylate, 6h, 4-(2-methylbutan-2-yl)cyclohexyl prop-2-enoate, Acrylsaeure-(4-tert-pentyl-cyclohexylester), [4-(2-methylbutan-2-yl)cyclohexyl] prop-2-enoate, Acrylic acid 4-(1,1-dimethylpropyl)cyclohexyl ester
| Molecular Formula | C14H24O2 |
|---|---|
| Molecular Weight | 224.18 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.17763 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 6948-96-5 |
|---|---|
| SMILES | CCC(C)(C)C1CCC(CC1)OC(=O)C=C |
| InChIKey | HESNSGBXJPYQTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate (CAS 6948-96-5), with molecular formula C14H24O2 and molecular weight 224.18 g/mol. IUPAC: [4-(2-methylbutan-2-yl)cyclohexyl] prop-2-enoate.
Chemical Property Profile of 4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate
Property Insights of 4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate
The XLogP value of 4.5 indicates that 4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate 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 4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate?
The CAS number of 4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate is 6948-96-5.
What is the molecular formula of 4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate?
The molecular formula of 4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate is C14H24O2.
What is the molecular weight of 4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate?
The molecular weight of 4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate is 224.18 g/mol.
Where can I buy 4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate?
You can request a quote for 4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methylbutan-2-yl)cyclohexyl prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.