(1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate
TL;DR: (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate (CAS 37847-84-0) is a chemical compound with molecular formula C22H14F6O2S and molecular weight 456.06 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) 2-phenylsulfanylbenzoate
Also Known As: (1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate, (1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfany, 1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl 2-(phenylsulfanyl)benzoate, Benzoic acid, 2-(phenylthio)-, 2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl ester+E955
| Molecular Formula | C22H14F6O2S |
|---|---|
| Molecular Weight | 456.06 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.06186 |
| Heavy Atoms | 31 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 37847-84-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)OC(=O)C2=CC=CC=C2SC3=CC=CC=C3 |
| InChIKey | YAWVRLLWBZYJES-UHFFFAOYSA-N |
Product Overview
(1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate (CAS 37847-84-0), with molecular formula C22H14F6O2S and molecular weight 456.06 g/mol. IUPAC: (1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate.
Chemical Property Profile of (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate
Property Insights of (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate
The XLogP value of 7.4 indicates that (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate 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) 2-phenylsulfanylbenzoate has 0 hydrogen bond donor(s) and 9 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) 2-phenylsulfanylbenzoate?
The CAS number of (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate is 37847-84-0.
What is the molecular formula of (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate?
The molecular formula of (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate is C22H14F6O2S.
What is the molecular weight of (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate?
The molecular weight of (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate is 456.06 g/mol.
Where can I buy (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate?
You can request a quote for (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate 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) 2-phenylsulfanylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.