3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one
TL;DR: 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one (CAS 6337-12-8) is a chemical compound with molecular formula C13H15F3OS and molecular weight 276.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-butylphenyl)sulfanyl-1,1,1-trifluoropropan-2-one
Also Known As: BPTFP, 3-1,1,1-trifluoropropan-2-one, 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one, 3- -1,1,1-trifluoropropan-2-one, 2-Propanone, 3-((4-butylphenyl)thio)-1,1,1-trifluoro-
| Molecular Formula | C13H15F3OS |
|---|---|
| Molecular Weight | 276.08 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.07956 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 6337-12-8 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)SCC(=O)C(F)(F)F |
| InChIKey | MVODFEYTKNQFJM-UHFFFAOYSA-N |
Product Overview
3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one (CAS 6337-12-8), with molecular formula C13H15F3OS and molecular weight 276.08 g/mol. IUPAC: 3-(4-butylphenyl)sulfanyl-1,1,1-trifluoropropan-2-one.
Chemical Property Profile of 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one
Property Insights of 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one
The XLogP value of 5.2 indicates that 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one 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 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one?
The CAS number of 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one is 6337-12-8.
What is the molecular formula of 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one?
The molecular formula of 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one is C13H15F3OS.
What is the molecular weight of 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one?
The molecular weight of 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one is 276.08 g/mol.
Where can I buy 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one?
You can request a quote for 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4'-Butylphenylthio)-1,1,1-trifluoropropan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.