1-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea
TL;DR: 1-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea (CAS 23656-30-6) is a chemical compound with molecular formula C12H9F3N4O and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyrimidin-2-yl-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: 1-pyrimidin-2-yl-3-[3-(trifluoromethyl)phenyl]urea, 1-pyrimidin-2-yl-3-(3-trifluoromethyl-phenyl)-urea, urea, N-2-pyrimidinyl-N'-[3-(trifluoromethyl)phenyl]-, 1-(Pyrimidin-2-yl)-3-(3-(trifluoromethyl)phenyl)urea, 3-(pyrimidin-2-yl)-1-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C12H9F3N4O |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.07285 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 23656-30-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)NC2=NC=CC=N2)C(F)(F)F |
| InChIKey | BIWIPAFIUDLXFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea (CAS 23656-30-6), with molecular formula C12H9F3N4O and molecular weight 282.07 g/mol. IUPAC: 1-pyrimidin-2-yl-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea
Property Insights of 1-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea. Following Lipinski's Rule of Five, 1-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea has 2 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 1-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea?
The CAS number of 1-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea is 23656-30-6.
What is the molecular formula of 1-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea?
The molecular formula of 1-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea is C12H9F3N4O.
What is the molecular weight of 1-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea?
The molecular weight of 1-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea is 282.07 g/mol.
Where can I buy 1-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea?
You can request a quote for 1-Pyrimidin-2-YL-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-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrimidin-2-YL-3-(3-trifluoromethyl-phenyl)-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.