2-Isopropyl-5-methylcyclohexyl trifluoroacetate
TL;DR: 2-Isopropyl-5-methylcyclohexyl trifluoroacetate (CAS 91639-10-0) is a chemical compound with molecular formula C12H19F3O2 and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylcyclohexyl) 2,2,2-trifluoroacetate
Also Known As: Trifluoroacetyl-menthol, Menthyl trifluoroacetate, Trifluoroacetyl menthol, O-Trifluoroacetyl-menthol, Trifluoroacetic acid menthyl ester
| Molecular Formula | C12H19F3O2 |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.13371 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 91639-10-0 |
|---|---|
| SMILES | CC1CCC(C(C1)OC(=O)C(F)(F)F)C(C)C |
| InChIKey | ATXCXBAHNZQECW-UHFFFAOYSA-N |
Product Overview
2-Isopropyl-5-methylcyclohexyl trifluoroacetate (CAS 91639-10-0), with molecular formula C12H19F3O2 and molecular weight 252.13 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) 2,2,2-trifluoroacetate.
Chemical Property Profile of 2-Isopropyl-5-methylcyclohexyl trifluoroacetate
Property Insights of 2-Isopropyl-5-methylcyclohexyl trifluoroacetate
The XLogP value of 4.7 indicates that 2-Isopropyl-5-methylcyclohexyl trifluoroacetate 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-Isopropyl-5-methylcyclohexyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-5-methylcyclohexyl trifluoroacetate has 0 hydrogen bond donor(s) and 5 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-Isopropyl-5-methylcyclohexyl trifluoroacetate?
The CAS number of 2-Isopropyl-5-methylcyclohexyl trifluoroacetate is 91639-10-0.
What is the molecular formula of 2-Isopropyl-5-methylcyclohexyl trifluoroacetate?
The molecular formula of 2-Isopropyl-5-methylcyclohexyl trifluoroacetate is C12H19F3O2.
What is the molecular weight of 2-Isopropyl-5-methylcyclohexyl trifluoroacetate?
The molecular weight of 2-Isopropyl-5-methylcyclohexyl trifluoroacetate is 252.13 g/mol.
Where can I buy 2-Isopropyl-5-methylcyclohexyl trifluoroacetate?
You can request a quote for 2-Isopropyl-5-methylcyclohexyl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-5-methylcyclohexyl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-5-methylcyclohexyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.