![1-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea structure](/static/products/900/900665-82-9.png)
1-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea
TL;DR: 1-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea (CAS 900665-82-9) is a chemical compound with molecular formula C13H17F3N2O and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea
Also Known As: 1-pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea, N-(1-ethylpropyl)-N'-[2-(trifluoromethyl)phenyl]urea, [(ethylpropyl)amino]-N-[2-(trifluoromethyl)phenyl]carboxamide
| Molecular Formula | C13H17F3N2O |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 4.0155 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.1293 |
| Heavy Atoms | 19 |
| Complexity | 428.14166 |
Chemical Identifiers
| CAS Number | 900665-82-9 |
|---|---|
| SMILES | CCC(CC)NC(=O)NC1=CC=CC=C1C(F)(F)F |
Product Overview
1-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea (CAS 900665-82-9), with molecular formula C13H17F3N2O and molecular weight 274.13 g/mol. IUPAC: 1-pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea
Property Insights of 1-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea
The XLogP value of 4.0155 indicates that 1-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 1-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea has 2 hydrogen bond donor(s) and 1 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-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea?
The CAS number of 1-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea is 900665-82-9.
What is the molecular formula of 1-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea?
The molecular formula of 1-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea is C13H17F3N2O.
What is the molecular weight of 1-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea?
The molecular weight of 1-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea is 274.13 g/mol.
Where can I buy 1-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea?
You can request a quote for 1-Pentan-3-yl-3-[2-(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-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentan-3-yl-3-[2-(trifluoromethyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.