(2-Propan-2-ylcyclohexyl) 2-ethylbutanoate
TL;DR: (2-Propan-2-ylcyclohexyl) 2-ethylbutanoate (CAS 5436-60-2) 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.
(2-propan-2-ylcyclohexyl) 2-ethylbutanoate
Also Known As: (2-propan-2-ylcyclohexyl) 2-ethylbutanoate, 2-methylcyclohexyl 2-ethylbutanoate, 2-(propan-2-yl)cyclohexyl 2-ethylbutanoate
| Molecular Formula | C15H28O2 |
|---|---|
| Molecular Weight | 240.21 g/mol |
| LogP | 4.9 |
| 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 | 231.0 |
Chemical Identifiers
| CAS Number | 5436-60-2 |
|---|---|
| SMILES | CCC(CC)C(=O)OC1CCCCC1C(C)C |
| InChIKey | BCXOJVNKKKQSOK-UHFFFAOYSA-N |
Product Overview
(2-Propan-2-ylcyclohexyl) 2-ethylbutanoate (CAS 5436-60-2), with molecular formula C15H28O2 and molecular weight 240.21 g/mol. IUPAC: (2-propan-2-ylcyclohexyl) 2-ethylbutanoate.
Chemical Property Profile of (2-Propan-2-ylcyclohexyl) 2-ethylbutanoate
Property Insights of (2-Propan-2-ylcyclohexyl) 2-ethylbutanoate
The XLogP value of 4.9 indicates that (2-Propan-2-ylcyclohexyl) 2-ethylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (2-Propan-2-ylcyclohexyl) 2-ethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Propan-2-ylcyclohexyl) 2-ethylbutanoate 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 (2-Propan-2-ylcyclohexyl) 2-ethylbutanoate?
The CAS number of (2-Propan-2-ylcyclohexyl) 2-ethylbutanoate is 5436-60-2.
What is the molecular formula of (2-Propan-2-ylcyclohexyl) 2-ethylbutanoate?
The molecular formula of (2-Propan-2-ylcyclohexyl) 2-ethylbutanoate is C15H28O2.
What is the molecular weight of (2-Propan-2-ylcyclohexyl) 2-ethylbutanoate?
The molecular weight of (2-Propan-2-ylcyclohexyl) 2-ethylbutanoate is 240.21 g/mol.
Where can I buy (2-Propan-2-ylcyclohexyl) 2-ethylbutanoate?
You can request a quote for (2-Propan-2-ylcyclohexyl) 2-ethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Propan-2-ylcyclohexyl) 2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Propan-2-ylcyclohexyl) 2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.