1-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea
TL;DR: 1-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea (CAS 371127-18-3) is a chemical compound with molecular formula C8H8F3N3O and molecular weight 219.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea
Also Known As: J3.443.592H, N-4-pyridinyl-N'-(2,2,2-trifluoroethyl)urea, 1-(2,2,2-Trifluoroethyl)-3-(4-pyridyl)urea, 1-pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea, 1-(PYRIDIN-4-YL)-3-(2,2,2-TRIFLUOROETHYL)UREA
| Molecular Formula | C8H8F3N3O |
|---|---|
| Molecular Weight | 219.06 g/mol |
| LogP | 1.7654 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.06195 |
| Heavy Atoms | 15 |
| Complexity | 325.6538 |
Chemical Identifiers
| CAS Number | 371127-18-3 |
|---|---|
| SMILES | C1=CN=CC=C1NC(=O)NCC(F)(F)F |
Product Overview
1-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea (CAS 371127-18-3), with molecular formula C8H8F3N3O and molecular weight 219.06 g/mol. IUPAC: 1-pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea.
Chemical Property Profile of 1-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea
Property Insights of 1-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea
The XLogP value of 1.7654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea. With a topological polar surface area (TPSA) of 54.02 Ų, 1-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea has 2 hydrogen bond donor(s) and 2 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-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea?
The CAS number of 1-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea is 371127-18-3.
What is the molecular formula of 1-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea?
The molecular formula of 1-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea is C8H8F3N3O.
What is the molecular weight of 1-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea?
The molecular weight of 1-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea is 219.06 g/mol.
Where can I buy 1-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea?
You can request a quote for 1-Pyridin-4-yl-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-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyridin-4-yl-3-(2,2,2-trifluoroethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.