Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-
TL;DR: Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)- (CAS 84897-06-3) is a chemical compound with molecular formula C12H14F4N2O4S and molecular weight 358.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[4-fluoro-3-(trifluoromethylsulfanyl)phenyl]urea
Also Known As: Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-, N-(4-Fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)urea, 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[4-fluoro-3-(trifluoromethylsulfanyl)phenyl]urea, N-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]-N'-{4-fluoro-3-[(trifluoromethyl)sulfanyl]phenyl}urea, N-[4-Fluoro-3-[(trifluoromethyl)thio]phenyl]-N'-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]urea
| Molecular Formula | C12H14F4N2O4S |
|---|---|
| Molecular Weight | 358.06 g/mol |
| LogP | 1.2748 |
| Topological Polar Surface Area | 101.82 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.06104 |
| Heavy Atoms | 23 |
| Complexity | 544.0878 |
Chemical Identifiers
| CAS Number | 84897-06-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)NC(CO)(CO)CO)SC(F)(F)F)F |
Product Overview
Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)- (CAS 84897-06-3), with molecular formula C12H14F4N2O4S and molecular weight 358.06 g/mol. IUPAC: 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[4-fluoro-3-(trifluoromethylsulfanyl)phenyl]urea.
Chemical Property Profile of Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-
Property Insights of Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-
The XLogP value of 1.2748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-. The TPSA of 101.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-. Following Lipinski's Rule of Five, Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)- has 5 hydrogen bond donor(s) and 5 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 Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-?
The CAS number of Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)- is 84897-06-3.
What is the molecular formula of Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-?
The molecular formula of Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)- is C12H14F4N2O4S.
What is the molecular weight of Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-?
The molecular weight of Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)- is 358.06 g/mol.
Where can I buy Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-?
You can request a quote for Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.