![[(1R,2R)-2-tert-butylcyclohexyl] acetate structure](/static/products/2029/20298-69-5.webp)
[(1R,2R)-2-tert-butylcyclohexyl] acetate
TL;DR: [(1R,2R)-2-tert-butylcyclohexyl] acetate (CAS 20298-69-5) 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.
[(1R,2R)-2-tert-butylcyclohexyl] acetate
Also Known As: cis-2-tert-Butylcyclohexyl acetate, 2-t-Butylcyclohexyl acetate, [(1R,2R)-2-tert-butylcyclohexyl] acetate, cis-2-t-butylcyclohexyl acetate, 2-tert-Butylcyclohexyl acetate, cis-
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 20298-69-5 |
|---|---|
| SMILES | CC(=O)O[C@@H]1CCCC[C@@H]1C(C)(C)C |
| InChIKey | FINOAUDUYKVGDS-WDEREUQCSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(1R,2R)-2-tert-butylcyclohexyl] acetate (CAS 20298-69-5), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: [(1R,2R)-2-tert-butylcyclohexyl] acetate.
Chemical Property Profile of [(1R,2R)-2-tert-butylcyclohexyl] acetate
Property Insights of [(1R,2R)-2-tert-butylcyclohexyl] acetate
The XLogP value of 3.6 indicates that [(1R,2R)-2-tert-butylcyclohexyl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, [(1R,2R)-2-tert-butylcyclohexyl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(1R,2R)-2-tert-butylcyclohexyl] acetate 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 [(1R,2R)-2-tert-butylcyclohexyl] acetate?
The CAS number of [(1R,2R)-2-tert-butylcyclohexyl] acetate is 20298-69-5.
What is the molecular formula of [(1R,2R)-2-tert-butylcyclohexyl] acetate?
The molecular formula of [(1R,2R)-2-tert-butylcyclohexyl] acetate is C12H22O2.
What is the molecular weight of [(1R,2R)-2-tert-butylcyclohexyl] acetate?
The molecular weight of [(1R,2R)-2-tert-butylcyclohexyl] acetate is 198.16 g/mol.
Where can I buy [(1R,2R)-2-tert-butylcyclohexyl] acetate?
You can request a quote for [(1R,2R)-2-tert-butylcyclohexyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1R,2R)-2-tert-butylcyclohexyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [(1R,2R)-2-tert-butylcyclohexyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.