N,N'-Bis(4-fluorobutyl)urea
TL;DR: N,N'-Bis(4-fluorobutyl)urea (CAS 542-51-8) is a chemical compound with molecular formula C9H18F2N2O and molecular weight 208.13872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(4-fluorobutyl)urea
Also Known As: 1,3-bis(4-fluorobutyl)urea, N,N'-Bis-4-fluorobutylurea, Urea, 1,3-bis(4-fluorobutyl)-, N,N'-Bis(4-fluorobutyl)urea, KST-1B5565
Technical Specifications
| Molecular Formula | C9H18F2N2O |
| Molecular Weight | 208.13872 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 208.13872 Da |
| Heavy Atoms | 14 |
| Complexity | 131.0 |
| SMILES | C(CCF)CNC(=O)NCCCCF |
| InChIKey | MAAYIFAKYKANLE-UHFFFAOYSA-N |
Chemical Property Profile of N,N'-Bis(4-fluorobutyl)urea
Property Insights of N,N'-Bis(4-fluorobutyl)urea
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-Bis(4-fluorobutyl)urea. With a topological polar surface area (TPSA) of 41.1 Ų, N,N'-Bis(4-fluorobutyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N'-Bis(4-fluorobutyl)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 N,N'-Bis(4-fluorobutyl)urea?
The CAS number of N,N'-Bis(4-fluorobutyl)urea is 542-51-8.
What is the molecular formula of N,N'-Bis(4-fluorobutyl)urea?
The molecular formula of N,N'-Bis(4-fluorobutyl)urea is C9H18F2N2O.
What is the molecular weight of N,N'-Bis(4-fluorobutyl)urea?
The molecular weight of N,N'-Bis(4-fluorobutyl)urea is 208.13872 g/mol.
Where can I buy N,N'-Bis(4-fluorobutyl)urea?
You can request a quote for N,N'-Bis(4-fluorobutyl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N'-Bis(4-fluorobutyl)urea?
Yes, CoreyChem provides custom synthesis services for N,N'-Bis(4-fluorobutyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.