1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea
TL;DR: 1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea (CAS 33169-07-2) is a chemical compound with molecular formula C5H8F4N2O and molecular weight 188.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluoroethyl)-3-(2,2,2-trifluoroethyl)urea
Also Known As: 1-(2-fluoroethyl)-3-(2,2,2-trifluoroethyl)urea, KST-1B3187, N-(2-Fluoroethyl)-N'-(2,2,2-trifluoroethyl)urea, Urea, N-(2-fluoroethyl)-N'-(2,2,2-trifluoroethyl)-, N-<2-Fluor-ethyl>-N'-<2,2,2-trifluor-ethyl>-harnstoff
| Molecular Formula | C5H8F4N2O |
|---|---|
| Molecular Weight | 188.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.05728 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 33169-07-2 |
|---|---|
| SMILES | C(CF)NC(=O)NCC(F)(F)F |
| InChIKey | VVDWYMKGHXJNNY-UHFFFAOYSA-N |
Product Overview
1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea (CAS 33169-07-2), with molecular formula C5H8F4N2O and molecular weight 188.06 g/mol. IUPAC: 1-(2-fluoroethyl)-3-(2,2,2-trifluoroethyl)urea.
Chemical Property Profile of 1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea
Property Insights of 1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea has 2 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 1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea?
The CAS number of 1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea is 33169-07-2.
What is the molecular formula of 1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea?
The molecular formula of 1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea is C5H8F4N2O.
What is the molecular weight of 1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea?
The molecular weight of 1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea is 188.06 g/mol.
Where can I buy 1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea?
You can request a quote for 1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Fluoroethyl)-3-(2,2,2-trifluoroethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.