4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol
TL;DR: 4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol (CAS 339349-22-3) is a chemical compound with molecular formula C9H5ClF6O3S and molecular weight 341.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylbenzene-1,3-diol
Also Known As: A2740/0116393, 4-((2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol, 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylbenzene-1,3-diol, 4-{[2-CHLORO-1,1,2-TRIFLUORO-2-(TRIFLUOROMETHOXY)ETHYL]SULFANYL}-1,3-BENZENEDIOL, 4-{[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl}benzene-1,3-diol
| Molecular Formula | C9H5ClF6O3S |
|---|---|
| Molecular Weight | 341.96 g/mol |
| LogP | 4.1812 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.9552 |
| Heavy Atoms | 20 |
| Complexity | 493.0615 |
Chemical Identifiers
| CAS Number | 339349-22-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)O)SC(C(OC(F)(F)F)(F)Cl)(F)F |
Product Overview
4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol (CAS 339349-22-3), with molecular formula C9H5ClF6O3S and molecular weight 341.96 g/mol. IUPAC: 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylbenzene-1,3-diol.
Chemical Property Profile of 4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol
Property Insights of 4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol
The XLogP value of 4.1812 indicates that 4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.69 Ų, 4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol?
The CAS number of 4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol is 339349-22-3.
What is the molecular formula of 4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol?
The molecular formula of 4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol is C9H5ClF6O3S.
What is the molecular weight of 4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol?
The molecular weight of 4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol is 341.96 g/mol.
Where can I buy 4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol?
You can request a quote for 4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)benzene-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.