3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride
TL;DR: 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride (CAS 885950-87-8) is a chemical compound with molecular formula C14H7ClF6O3S and molecular weight 403.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,5-bis(trifluoromethyl)phenoxy]benzenesulfonyl chloride
Also Known As: 3PBS-Q08-0, 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride, 3-(3,5-Bis-trifluoromethylphenoxy)phenylsulfonyl chloride, {3-[3,5-BIS(TRIFLUOROMETHYL)PHENOXY]PHENYL}SULFONYL CHLORIDE, 3-[3,5-bis(trifluoromethyl)phenoxy]benzenesulfonyl Chloride
| Molecular Formula | C14H7ClF6O3S |
|---|---|
| Molecular Weight | 403.97 g/mol |
| LogP | 5.444 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.97086 |
| Heavy Atoms | 25 |
| Complexity | 857.9206 |
Chemical Identifiers
| CAS Number | 885950-87-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)Cl)OC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
Product Overview
3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride (CAS 885950-87-8), with molecular formula C14H7ClF6O3S and molecular weight 403.97 g/mol. IUPAC: 3-[3,5-bis(trifluoromethyl)phenoxy]benzenesulfonyl chloride.
Chemical Property Profile of 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride
Property Insights of 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride
The XLogP value of 5.444 indicates that 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride 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 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride?
The CAS number of 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride is 885950-87-8.
What is the molecular formula of 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride?
The molecular formula of 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride is C14H7ClF6O3S.
What is the molecular weight of 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride?
The molecular weight of 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride is 403.97 g/mol.
Where can I buy 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride?
You can request a quote for 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-Bis(trifluoromethyl)phenoxy)benzene-1-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.