Trifluoroacetyl-carvacrol
TL;DR: Trifluoroacetyl-carvacrol (CAS 28664-29-1) is a chemical compound with molecular formula C12H13F3O2 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-5-propan-2-ylphenyl) 2,2,2-trifluoroacetate
Also Known As: Trifluoroacetyl-carvacrol, Carvacryl trifluoroacetate, Trifluoroacetylcarvacrol, Carvacrol, trifluoroacetate, O-Trifluoroacetyl-carvacrol
| Molecular Formula | C12H13F3O2 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.08676 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 28664-29-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)C)OC(=O)C(F)(F)F |
| InChIKey | LIQXHTWVIILVJM-UHFFFAOYSA-N |
Product Overview
Trifluoroacetyl-carvacrol (CAS 28664-29-1), with molecular formula C12H13F3O2 and molecular weight 246.09 g/mol. IUPAC: (2-methyl-5-propan-2-ylphenyl) 2,2,2-trifluoroacetate.
Chemical Property Profile of Trifluoroacetyl-carvacrol
Property Insights of Trifluoroacetyl-carvacrol
The XLogP value of 4.1 indicates that Trifluoroacetyl-carvacrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Trifluoroacetyl-carvacrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoroacetyl-carvacrol 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 Trifluoroacetyl-carvacrol?
The CAS number of Trifluoroacetyl-carvacrol is 28664-29-1.
What is the molecular formula of Trifluoroacetyl-carvacrol?
The molecular formula of Trifluoroacetyl-carvacrol is C12H13F3O2.
What is the molecular weight of Trifluoroacetyl-carvacrol?
The molecular weight of Trifluoroacetyl-carvacrol is 246.09 g/mol.
Where can I buy Trifluoroacetyl-carvacrol?
You can request a quote for Trifluoroacetyl-carvacrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoroacetyl-carvacrol?
Yes, KEHONG BIO provides custom synthesis services for Trifluoroacetyl-carvacrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.