4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate
TL;DR: 4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate (CAS 680211-74-9) is a chemical compound with molecular formula C11H5ClF3NO5S2 and molecular weight 386.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(trifluoromethyl)phenyl] 5-chloro-4-nitrothiophene-2-sulfonate
Also Known As: 4-(trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate, 4-(trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulphonate, [4-(trifluoromethyl)phenyl] 5-chloro-4-nitrothiophene-2-sulfonate
| Molecular Formula | C11H5ClF3NO5S2 |
|---|---|
| Molecular Weight | 386.93 g/mol |
| LogP | 4.0962 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.925 |
| Heavy Atoms | 23 |
| Complexity | 845.5372 |
Chemical Identifiers
| CAS Number | 680211-74-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)OS(=O)(=O)C2=CC(=C(S2)Cl)[N+](=O)[O-] |
Product Overview
4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate (CAS 680211-74-9), with molecular formula C11H5ClF3NO5S2 and molecular weight 386.93 g/mol. IUPAC: [4-(trifluoromethyl)phenyl] 5-chloro-4-nitrothiophene-2-sulfonate.
Chemical Property Profile of 4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate
Property Insights of 4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate
The XLogP value of 4.0962 indicates that 4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate has 0 hydrogen bond donor(s) and 6 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-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate?
The CAS number of 4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate is 680211-74-9.
What is the molecular formula of 4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate?
The molecular formula of 4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate is C11H5ClF3NO5S2.
What is the molecular weight of 4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate?
The molecular weight of 4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate is 386.93 g/mol.
Where can I buy 4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate?
You can request a quote for 4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethyl)phenyl 5-chloro-4-nitrothiophene-2-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.