Heptyl 4-(trifluoroacetyl)benzoate
TL;DR: Heptyl 4-(trifluoroacetyl)benzoate (CAS 129476-47-7) is a chemical compound with molecular formula C16H19F3O3 and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 4-(2,2,2-trifluoroacetyl)benzoate
Also Known As: Carbonate ionophore I, Heptyl 4-(trifluoroacetyl)benzoate, heptyl 4-(2,2,2-trifluoroacetyl)benzoate, Carbonate ionophore I solution, Heptyl 4-trifluoroacetylbenzoate
| Molecular Formula | C16H19F3O3 |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 316.12863 |
| Heavy Atoms | 22 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 129476-47-7 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)C(F)(F)F |
| InChIKey | CQFKNHZFYMLLPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl 4-(trifluoroacetyl)benzoate (CAS 129476-47-7), with molecular formula C16H19F3O3 and molecular weight 316.13 g/mol. IUPAC: heptyl 4-(2,2,2-trifluoroacetyl)benzoate.
Chemical Property Profile of Heptyl 4-(trifluoroacetyl)benzoate
Property Insights of Heptyl 4-(trifluoroacetyl)benzoate
The XLogP value of 6.0 indicates that Heptyl 4-(trifluoroacetyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Heptyl 4-(trifluoroacetyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 4-(trifluoroacetyl)benzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptyl 4-(trifluoroacetyl)benzoate?
The CAS number of Heptyl 4-(trifluoroacetyl)benzoate is 129476-47-7.
What is the molecular formula of Heptyl 4-(trifluoroacetyl)benzoate?
The molecular formula of Heptyl 4-(trifluoroacetyl)benzoate is C16H19F3O3.
What is the molecular weight of Heptyl 4-(trifluoroacetyl)benzoate?
The molecular weight of Heptyl 4-(trifluoroacetyl)benzoate is 316.13 g/mol.
Where can I buy Heptyl 4-(trifluoroacetyl)benzoate?
You can request a quote for Heptyl 4-(trifluoroacetyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl 4-(trifluoroacetyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 4-(trifluoroacetyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.