5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride
TL;DR: 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride (CAS 31444-57-2) is a chemical compound with molecular formula C25H20ClFO2PS+ and molecular weight 469.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-2-fluorosulfonylphenyl)methyl-triphenylphosphanium
Also Known As: 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride, (4-chloro-2-fluorosulfonylphenyl)methyl-triphenylphosphanium, 2,2-pentamethylene-1,3-dithia-5,6-benzocycloheptene, (4-chloro-2-fluorosulfonyl-phenyl)methyl-triphenyl-phosphonium, {[4-Chloro-2-(fluorosulfonyl)phenyl]methyl}tri(phenyl)phosphanium
| Molecular Formula | C25H20ClFO2PS+ |
|---|---|
| Molecular Weight | 469.06 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.05942 |
| Heavy Atoms | 31 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 31444-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)[P+](CC2=C(C=C(C=C2)Cl)S(=O)(=O)F)(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | KGFKXSOEZCRFHV-UHFFFAOYSA-N |
Product Overview
5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride (CAS 31444-57-2), with molecular formula C25H20ClFO2PS+ and molecular weight 469.06 g/mol. IUPAC: (4-chloro-2-fluorosulfonylphenyl)methyl-triphenylphosphanium.
Chemical Property Profile of 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride
Property Insights of 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride
The XLogP value of 6.5 indicates that 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride?
The CAS number of 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride is 31444-57-2.
What is the molecular formula of 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride?
The molecular formula of 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride is C25H20ClFO2PS+.
What is the molecular weight of 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride?
The molecular weight of 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride is 469.06 g/mol.
Where can I buy 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride?
You can request a quote for 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-((triphenylphosphoranyl)methyl)benzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.