2-tert-Butylcyclohexyl acetate, trans-
TL;DR: 2-tert-Butylcyclohexyl acetate, trans- (CAS 20298-70-8) 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,2S)-2-tert-butylcyclohexyl] acetate
Also Known As: trans-2-tert-Butylcyclohexyl acetate, 2-t-Butylcyclohexyl acetate, [(1R,2S)-2-tert-butylcyclohexyl] acetate, 2-tert-Butylcyclohexyl acetate, trans-, (1R,2S)-2-tert-butylcyclohexyl acetate
| 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 | 20298-70-8 |
|---|---|
| SMILES | CC(=O)O[C@@H]1CCCC[C@H]1C(C)(C)C |
| InChIKey | FINOAUDUYKVGDS-GHMZBOCLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-tert-Butylcyclohexyl acetate, trans- (CAS 20298-70-8), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: [(1R,2S)-2-tert-butylcyclohexyl] acetate.
Chemical Property Profile of 2-tert-Butylcyclohexyl acetate, trans-
Property Insights of 2-tert-Butylcyclohexyl acetate, trans-
The XLogP value of 3.6 indicates that 2-tert-Butylcyclohexyl acetate, trans- 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-tert-Butylcyclohexyl acetate, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butylcyclohexyl acetate, trans- 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-tert-Butylcyclohexyl acetate, trans-?
The CAS number of 2-tert-Butylcyclohexyl acetate, trans- is 20298-70-8.
What is the molecular formula of 2-tert-Butylcyclohexyl acetate, trans-?
The molecular formula of 2-tert-Butylcyclohexyl acetate, trans- is C12H22O2.
What is the molecular weight of 2-tert-Butylcyclohexyl acetate, trans-?
The molecular weight of 2-tert-Butylcyclohexyl acetate, trans- is 198.16 g/mol.
Where can I buy 2-tert-Butylcyclohexyl acetate, trans-?
You can request a quote for 2-tert-Butylcyclohexyl acetate, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butylcyclohexyl acetate, trans-?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butylcyclohexyl acetate, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.