![1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone structure](/static/products/1294/129476-48-8.webp)
1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone
TL;DR: 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone (CAS 129476-48-8) is a chemical compound with molecular formula C20H29F3O3S and molecular weight 406.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-dodecylsulfonylphenyl)-2,2,2-trifluoroethanone
Also Known As: Carbonate ionophore II, Carbonate ionophore II solution, 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone, ETH 6019, 1-(4-dodecylsulfonylphenyl)-2,2,2-trifluoroethanone
| Molecular Formula | C20H29F3O3S |
|---|---|
| Molecular Weight | 406.18 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 406.17896 |
| Heavy Atoms | 27 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 129476-48-8 |
|---|---|
| SMILES | CCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)C(=O)C(F)(F)F |
| InChIKey | WQOBMOYCYLMGKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone (CAS 129476-48-8), with molecular formula C20H29F3O3S and molecular weight 406.18 g/mol. IUPAC: 1-(4-dodecylsulfonylphenyl)-2,2,2-trifluoroethanone.
Chemical Property Profile of 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone
Property Insights of 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone
The XLogP value of 7.5 indicates that 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone?
The CAS number of 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone is 129476-48-8.
What is the molecular formula of 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone?
The molecular formula of 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone is C20H29F3O3S.
What is the molecular weight of 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone?
The molecular weight of 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone is 406.18 g/mol.
Where can I buy 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone?
You can request a quote for 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(Dodecylsulfonyl)phenyl]-2,2,2-trifluoroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.