1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea
TL;DR: 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea (CAS 327168-97-8) is a chemical compound with molecular formula C21H21F4N3O2S2 and molecular weight 487.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea, 1-[3-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea, 1-{3-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-thioxo-1,3-thiazolidin-4-yl}-1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C21H21F4N3O2S2 |
|---|---|
| Molecular Weight | 487.10 g/mol |
| LogP | 5.7487 |
| Topological Polar Surface Area | 55.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.10114 |
| Heavy Atoms | 32 |
| Complexity | 1016.5344 |
Chemical Identifiers
| CAS Number | 327168-97-8 |
|---|---|
| SMILES | CC1(C(N(C(=S)S1)CCC2=CC=CC=C2F)N(C(=O)NC3=CC=CC(=C3)C(F)(F)F)O)C |
Product Overview
1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea (CAS 327168-97-8), with molecular formula C21H21F4N3O2S2 and molecular weight 487.10 g/mol. IUPAC: 1-[3-[2-(2-fluorophenyl)ethyl]-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea
Property Insights of 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea
The XLogP value of 5.7487 indicates that 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.81 Ų, 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea?
The CAS number of 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea is 327168-97-8.
What is the molecular formula of 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea?
The molecular formula of 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea is C21H21F4N3O2S2.
What is the molecular weight of 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea?
The molecular weight of 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea is 487.10 g/mol.
Where can I buy 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea?
You can request a quote for 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(2-fluorophenethyl)-5,5-dimethyl-2-thioxothiazolidin-4-yl)-1-hydroxy-3-(3-(trifluoromethyl)phenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.