3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate
TL;DR: 3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate (CAS 680579-24-2) is a chemical compound with molecular formula C16H9ClF6O2 and molecular weight 382.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(trifluoromethyl)phenyl] 4-(chloromethyl)benzoate
Also Known As: 3,5-bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate, [3,5-bis(trifluoromethyl)phenyl] 4-(chloromethyl)benzoate
| Molecular Formula | C16H9ClF6O2 |
|---|---|
| Molecular Weight | 382.02 g/mol |
| LogP | 5.6822 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.01953 |
| Heavy Atoms | 25 |
| Complexity | 733.4249 |
Chemical Identifiers
| CAS Number | 680579-24-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CCl)C(=O)OC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
Product Overview
3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate (CAS 680579-24-2), with molecular formula C16H9ClF6O2 and molecular weight 382.02 g/mol. IUPAC: [3,5-bis(trifluoromethyl)phenyl] 4-(chloromethyl)benzoate.
Chemical Property Profile of 3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate
Property Insights of 3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate
The XLogP value of 5.6822 indicates that 3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)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, 3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate?
The CAS number of 3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate is 680579-24-2.
What is the molecular formula of 3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate?
The molecular formula of 3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate is C16H9ClF6O2.
What is the molecular weight of 3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate?
The molecular weight of 3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate is 382.02 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate?
You can request a quote for 3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(trifluoromethyl)phenyl 4-(chloromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.