4-tert-Butylcyclohexyl isobutyrate
TL;DR: 4-tert-Butylcyclohexyl isobutyrate (CAS 5451-57-0) is a chemical compound with molecular formula C14H26O2 and molecular weight 226.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylcyclohexyl) 2-methylpropanoate
Also Known As: 4-tert-Butylcyclohexyl isobutyrate, 4-tert-butylcyclohexyl 2-methylpropanoate, (4-tert-butylcyclohexyl) 2-methylpropanoate, 2-Methylpropionic acid 4-tert-butylcyclohexyl ester, Propanoic acid,2-methyl-, 4-(1,1-dimethylethyl)cyclohexyl ester
| Molecular Formula | C14H26O2 |
|---|---|
| Molecular Weight | 226.19 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.19328 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 5451-57-0 |
|---|---|
| SMILES | CC(C)C(=O)OC1CCC(CC1)C(C)(C)C |
| InChIKey | RMCOAKZBTKDTCI-UHFFFAOYSA-N |
Product Overview
4-tert-Butylcyclohexyl isobutyrate (CAS 5451-57-0), with molecular formula C14H26O2 and molecular weight 226.19 g/mol. IUPAC: (4-tert-butylcyclohexyl) 2-methylpropanoate.
Chemical Property Profile of 4-tert-Butylcyclohexyl isobutyrate
Property Insights of 4-tert-Butylcyclohexyl isobutyrate
The XLogP value of 4.4 indicates that 4-tert-Butylcyclohexyl isobutyrate 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-tert-Butylcyclohexyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butylcyclohexyl isobutyrate 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-tert-Butylcyclohexyl isobutyrate?
The CAS number of 4-tert-Butylcyclohexyl isobutyrate is 5451-57-0.
What is the molecular formula of 4-tert-Butylcyclohexyl isobutyrate?
The molecular formula of 4-tert-Butylcyclohexyl isobutyrate is C14H26O2.
What is the molecular weight of 4-tert-Butylcyclohexyl isobutyrate?
The molecular weight of 4-tert-Butylcyclohexyl isobutyrate is 226.19 g/mol.
Where can I buy 4-tert-Butylcyclohexyl isobutyrate?
You can request a quote for 4-tert-Butylcyclohexyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butylcyclohexyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butylcyclohexyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.