n-Butyl cyclohexylacetate
TL;DR: n-Butyl cyclohexylacetate (CAS 42400-22-6) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-cyclohexylacetate
Also Known As: n-Butyl cyclohexylacetate, butyl 2-cyclohexylacetate, Butyl cyclohexylacetate, Cyclohexaneacetic acid, butyl ester, Butyl cyclohexylacetate #
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 42400-22-6 |
|---|---|
| SMILES | CCCCOC(=O)CC1CCCCC1 |
| InChIKey | UMFJXFOZUPARGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Butyl cyclohexylacetate (CAS 42400-22-6), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: butyl 2-cyclohexylacetate.
Chemical Property Profile of n-Butyl cyclohexylacetate
Property Insights of n-Butyl cyclohexylacetate
The XLogP value of 4.0 indicates that n-Butyl cyclohexylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, n-Butyl cyclohexylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Butyl cyclohexylacetate 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 n-Butyl cyclohexylacetate?
The CAS number of n-Butyl cyclohexylacetate is 42400-22-6.
What is the molecular formula of n-Butyl cyclohexylacetate?
The molecular formula of n-Butyl cyclohexylacetate is C12H22O2.
What is the molecular weight of n-Butyl cyclohexylacetate?
The molecular weight of n-Butyl cyclohexylacetate is 198.16 g/mol.
Where can I buy n-Butyl cyclohexylacetate?
You can request a quote for n-Butyl cyclohexylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Butyl cyclohexylacetate?
Yes, KEHONG BIO provides custom synthesis services for n-Butyl cyclohexylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.