1,1,1-Trifluoro-3-undecan-4-ylthiopropan-2-one
TL;DR: 1,1,1-Trifluoro-3-undecan-4-ylthiopropan-2-one (CAS 112240-80-9) is a chemical compound with molecular formula C14H25F3OS and molecular weight 298.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-undecan-4-ylsulfanylpropan-2-one
Also Known As: 1,1,1-Trifluoro-3-undecan-4-ylthiopropan-2-one, Propan-2-one, 1,1,1-trifluoro-3-undecan-4-ylthio-, 1,1,1-trifluoro-3-undecan-4-ylsulfanyl-propan-2-one, 1,1,1-trifluoro-3-undecan-4-ylsulfanylpropan-2-one, 1,1,1-Trifluoro-3-[(undecan-4-yl)sulfanyl]propan-2-one
| Molecular Formula | C14H25F3OS |
|---|---|
| Molecular Weight | 298.16 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 298.1578 |
| Heavy Atoms | 19 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 112240-80-9 |
|---|---|
| SMILES | CCCCCCCC(CCC)SCC(=O)C(F)(F)F |
| InChIKey | NQYFMZATHAEKIT-UHFFFAOYSA-N |
Product Overview
1,1,1-Trifluoro-3-undecan-4-ylthiopropan-2-one (CAS 112240-80-9), with molecular formula C14H25F3OS and molecular weight 298.16 g/mol. IUPAC: 1,1,1-trifluoro-3-undecan-4-ylsulfanylpropan-2-one.
Chemical Property Profile of 1,1,1-Trifluoro-3-undecan-4-ylthiopropan-2-one
Property Insights of 1,1,1-Trifluoro-3-undecan-4-ylthiopropan-2-one
The XLogP value of 6.5 indicates that 1,1,1-Trifluoro-3-undecan-4-ylthiopropan-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, 1,1,1-Trifluoro-3-undecan-4-ylthiopropan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-3-undecan-4-ylthiopropan-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 1,1,1-Trifluoro-3-undecan-4-ylthiopropan-2-one?
The CAS number of 1,1,1-Trifluoro-3-undecan-4-ylthiopropan-2-one is 112240-80-9.
What is the molecular formula of 1,1,1-Trifluoro-3-undecan-4-ylthiopropan-2-one?
The molecular formula of 1,1,1-Trifluoro-3-undecan-4-ylthiopropan-2-one is C14H25F3OS.
What is the molecular weight of 1,1,1-Trifluoro-3-undecan-4-ylthiopropan-2-one?
The molecular weight of 1,1,1-Trifluoro-3-undecan-4-ylthiopropan-2-one is 298.16 g/mol.
Where can I buy 1,1,1-Trifluoro-3-undecan-4-ylthiopropan-2-one?
You can request a quote for 1,1,1-Trifluoro-3-undecan-4-ylthiopropan-2-one 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-Trifluoro-3-undecan-4-ylthiopropan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-3-undecan-4-ylthiopropan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.