(4-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate
TL;DR: (4-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate (CAS 85204-29-1) 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.
(4-tert-butylcyclohexyl)methyl 2-methylpropanoate
Also Known As: EINECS 286-325-0, (4-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate, (4-tert-butylcyclohexyl)methyl 2-methylpropanoate, [4-(1,1-dimethylethyl)cyclohexyl]methyl isobutyrate, Isobutyric acid (4-tert-butylcyclohexyl)methyl ester
| Molecular Formula | C15H28O2 |
|---|---|
| Molecular Weight | 240.21 g/mol |
| LogP | 4.0381 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.20892 |
| Heavy Atoms | 17 |
| Complexity | 242.13766 |
Chemical Identifiers
| CAS Number | 85204-29-1 |
|---|---|
| SMILES | CC(C)C(=O)OCC1CCC(CC1)C(C)(C)C |
Product Overview
(4-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate (CAS 85204-29-1), with molecular formula C15H28O2 and molecular weight 240.21 g/mol. IUPAC: (4-tert-butylcyclohexyl)methyl 2-methylpropanoate.
Chemical Property Profile of (4-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate
Property Insights of (4-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate
The XLogP value of 4.0381 indicates that (4-(1,1-Dimethylethyl)cyclohexyl)methyl 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-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-(1,1-Dimethylethyl)cyclohexyl)methyl 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-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate?
The CAS number of (4-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate is 85204-29-1.
What is the molecular formula of (4-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate?
The molecular formula of (4-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate is C15H28O2.
What is the molecular weight of (4-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate?
The molecular weight of (4-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate is 240.21 g/mol.
Where can I buy (4-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate?
You can request a quote for (4-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for (4-(1,1-Dimethylethyl)cyclohexyl)methyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.