4-tert-Butylcyclohexyl phenylacetate
TL;DR: 4-tert-Butylcyclohexyl phenylacetate (CAS 57663-68-0) is a chemical compound with molecular formula C18H26O2 and molecular weight 274.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylcyclohexyl) 2-phenylacetate
Also Known As: 4-tert-Butylcyclohexyl phenylacetate, (4-tert-butylcyclohexyl) 2-phenylacetate, 4-TERT-BUTYLCYCLOHEXYL 2-PHENYLACETATE, Benzeneacetic acid 4-(1,1-dimethylethyl)cyclohexyl ester, Benzeneacetic acid,4-(1,1-dimethylethyl)cyclohexyl ester
| Molecular Formula | C18H26O2 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.19327 |
| Heavy Atoms | 20 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 57663-68-0 |
|---|---|
| SMILES | CC(C)(C)C1CCC(CC1)OC(=O)CC2=CC=CC=C2 |
| InChIKey | BIJPZGIOMHKTGP-UHFFFAOYSA-N |
Product Overview
4-tert-Butylcyclohexyl phenylacetate (CAS 57663-68-0), with molecular formula C18H26O2 and molecular weight 274.19 g/mol. IUPAC: (4-tert-butylcyclohexyl) 2-phenylacetate.
Chemical Property Profile of 4-tert-Butylcyclohexyl phenylacetate
Property Insights of 4-tert-Butylcyclohexyl phenylacetate
The XLogP value of 5.0 indicates that 4-tert-Butylcyclohexyl phenylacetate 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 phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butylcyclohexyl phenylacetate 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 phenylacetate?
The CAS number of 4-tert-Butylcyclohexyl phenylacetate is 57663-68-0.
What is the molecular formula of 4-tert-Butylcyclohexyl phenylacetate?
The molecular formula of 4-tert-Butylcyclohexyl phenylacetate is C18H26O2.
What is the molecular weight of 4-tert-Butylcyclohexyl phenylacetate?
The molecular weight of 4-tert-Butylcyclohexyl phenylacetate is 274.19 g/mol.
Where can I buy 4-tert-Butylcyclohexyl phenylacetate?
You can request a quote for 4-tert-Butylcyclohexyl phenylacetate 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 phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butylcyclohexyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.