4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate
TL;DR: 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate (CAS 329079-31-4) is a chemical compound with molecular formula C17H13F3O2S2 and molecular weight 370.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-dithiolan-2-yl)phenyl] 3-(trifluoromethyl)benzoate
Also Known As: TimTec1_001138, 4-(1,3-dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate, 4-(1,3-dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzoate, [4-(1,3-dithiolan-2-yl)phenyl] 3-(trifluoromethyl)benzoate, AA-768/32249024
| Molecular Formula | C17H13F3O2S2 |
|---|---|
| Molecular Weight | 370.03 g/mol |
| LogP | 5.4032 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.0309 |
| Heavy Atoms | 24 |
| Complexity | 723.36066 |
Chemical Identifiers
| CAS Number | 329079-31-4 |
|---|---|
| SMILES | C1CSC(S1)C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate (CAS 329079-31-4), with molecular formula C17H13F3O2S2 and molecular weight 370.03 g/mol. IUPAC: [4-(1,3-dithiolan-2-yl)phenyl] 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate
Property Insights of 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate
The XLogP value of 5.4032 indicates that 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate 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-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate?
The CAS number of 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate is 329079-31-4.
What is the molecular formula of 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate?
The molecular formula of 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate is C17H13F3O2S2.
What is the molecular weight of 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate?
The molecular weight of 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate is 370.03 g/mol.
Where can I buy 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate?
You can request a quote for 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dithiolan-2-yl)phenyl 3-(trifluoromethyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.