(1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate
TL;DR: (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate (CAS 57633-50-8) 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.
(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate
Also Known As: (1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate, 1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl 4-chlorobenzoate, (1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoat, Benzoic acid, 4-chloro-, 2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl ester
| Molecular Formula | C16H9ClF6O2 |
|---|---|
| Molecular Weight | 382.02 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.01953 |
| Heavy Atoms | 25 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 57633-50-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)OC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | YSZVMBFQPSGXBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate (CAS 57633-50-8), with molecular formula C16H9ClF6O2 and molecular weight 382.02 g/mol. IUPAC: (1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate.
Chemical Property Profile of (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate
Property Insights of (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate
The XLogP value of 6.0 indicates that (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate?
The CAS number of (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate is 57633-50-8.
What is the molecular formula of (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate?
The molecular formula of (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate is C16H9ClF6O2.
What is the molecular weight of (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate?
The molecular weight of (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate is 382.02 g/mol.
Where can I buy (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate?
You can request a quote for (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.