1-Butyl-3-(2,5-difluorophenyl)urea
TL;DR: 1-Butyl-3-(2,5-difluorophenyl)urea (CAS 100562-03-6) is a chemical compound with molecular formula C11H14F2N2O and molecular weight 228.10742 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-3-(2,5-difluorophenyl)urea
Also Known As: 1-butyl-3-(2,5-difluorophenyl)urea, 3-butyl-1-(2,5-difluorophenyl)urea, Urea, N-butyl-N'-(2,5-difluorophenyl)-, 3-(4-Ethyl-5-hydroxy-3-methyl-pyrazol-1-yl)-benzoic acid, 665-456-0
Technical Specifications
| Molecular Formula | C11H14F2N2O |
| Molecular Weight | 228.10742 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.10742 Da |
| Heavy Atoms | 16 |
| Complexity | 226.0 |
| SMILES | CCCCNC(=O)NC1=C(C=CC(=C1)F)F |
| InChIKey | PWIZHXDLCYNBFC-UHFFFAOYSA-N |
Chemical Property Profile of 1-Butyl-3-(2,5-difluorophenyl)urea
Property Insights of 1-Butyl-3-(2,5-difluorophenyl)urea
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-3-(2,5-difluorophenyl)urea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-Butyl-3-(2,5-difluorophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-3-(2,5-difluorophenyl)urea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Butyl-3-(2,5-difluorophenyl)urea?
The CAS number of 1-Butyl-3-(2,5-difluorophenyl)urea is 100562-03-6.
What is the molecular formula of 1-Butyl-3-(2,5-difluorophenyl)urea?
The molecular formula of 1-Butyl-3-(2,5-difluorophenyl)urea is C11H14F2N2O.
What is the molecular weight of 1-Butyl-3-(2,5-difluorophenyl)urea?
The molecular weight of 1-Butyl-3-(2,5-difluorophenyl)urea is 228.10742 g/mol.
Where can I buy 1-Butyl-3-(2,5-difluorophenyl)urea?
You can request a quote for 1-Butyl-3-(2,5-difluorophenyl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Butyl-3-(2,5-difluorophenyl)urea?
Yes, CoreyChem provides custom synthesis services for 1-Butyl-3-(2,5-difluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.