1-(3-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)urea
TL;DR: 1-(3-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)urea (CAS 54528-11-9) is a chemical compound with molecular formula C14H12F3N3O and molecular weight 295.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
Also Known As: 1-(3-PYRIDYLMETHYL)-3-(4-(TRIFLUOROMETHYL)PHENYL)UREA, US11452717, Compound TableB-3.8, 1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea, 1-[(pyridin-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea, AO-990/15068056
| Molecular Formula | C14H12F3N3O |
|---|---|
| Molecular Weight | 295.09 g/mol |
| LogP | 3.4221 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.09326 |
| Heavy Atoms | 21 |
| Complexity | 597.1113 |
Chemical Identifiers
| CAS Number | 54528-11-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC(=O)NC2=CC=C(C=C2)C(F)(F)F |
Product Overview
1-(3-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)urea (CAS 54528-11-9), with molecular formula C14H12F3N3O and molecular weight 295.09 g/mol. IUPAC: 1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-(3-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)urea
Property Insights of 1-(3-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)urea
The XLogP value of 3.4221 indicates that 1-(3-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, 1-(3-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)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-(3-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)urea?
The CAS number of 1-(3-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)urea is 54528-11-9.
What is the molecular formula of 1-(3-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)urea?
The molecular formula of 1-(3-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)urea is C14H12F3N3O.
What is the molecular weight of 1-(3-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)urea?
The molecular weight of 1-(3-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)urea is 295.09 g/mol.
Where can I buy 1-(3-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)urea?
You can request a quote for 1-(3-Pyridylmethyl)-3-(4-(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-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Pyridylmethyl)-3-(4-(trifluoromethyl)phenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.