4-Chlorophenyl 4-(trifluoromethyl)benzoate
TL;DR: 4-Chlorophenyl 4-(trifluoromethyl)benzoate (CAS 23171-01-9) is a chemical compound with molecular formula C14H8ClF3O2 and molecular weight 300.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 4-(trifluoromethyl)benzoate
Also Known As: 4-chlorophenyl 4-(trifluoromethyl)benzoate, (4-chlorophenyl) 4-(trifluoromethyl)benzoate, 4-chlorophenyl4-(trifluoromethyl)benzoate, 4-Trifluoromethylbenzoic acid, 4-chlorophenyl ester
| Molecular Formula | C14H8ClF3O2 |
|---|---|
| Molecular Weight | 300.02 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.01648 |
| Heavy Atoms | 20 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 23171-01-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)Cl)C(F)(F)F |
| InChIKey | STHLRRJMXBVNPV-UHFFFAOYSA-N |
Product Overview
4-Chlorophenyl 4-(trifluoromethyl)benzoate (CAS 23171-01-9), with molecular formula C14H8ClF3O2 and molecular weight 300.02 g/mol. IUPAC: (4-chlorophenyl) 4-(trifluoromethyl)benzoate.
Chemical Property Profile of 4-Chlorophenyl 4-(trifluoromethyl)benzoate
Property Insights of 4-Chlorophenyl 4-(trifluoromethyl)benzoate
The XLogP value of 5.1 indicates that 4-Chlorophenyl 4-(trifluoromethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Chlorophenyl 4-(trifluoromethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl 4-(trifluoromethyl)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chlorophenyl 4-(trifluoromethyl)benzoate?
The CAS number of 4-Chlorophenyl 4-(trifluoromethyl)benzoate is 23171-01-9.
What is the molecular formula of 4-Chlorophenyl 4-(trifluoromethyl)benzoate?
The molecular formula of 4-Chlorophenyl 4-(trifluoromethyl)benzoate is C14H8ClF3O2.
What is the molecular weight of 4-Chlorophenyl 4-(trifluoromethyl)benzoate?
The molecular weight of 4-Chlorophenyl 4-(trifluoromethyl)benzoate is 300.02 g/mol.
Where can I buy 4-Chlorophenyl 4-(trifluoromethyl)benzoate?
You can request a quote for 4-Chlorophenyl 4-(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl 4-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 4-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.