(3-Fluoro-1-adamantyl)urea
TL;DR: (3-Fluoro-1-adamantyl)urea (CAS 126525-50-6) is a chemical compound with molecular formula C11H17FN2O and molecular weight 212.13249 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-fluoro-1-adamantyl)urea
Also Known As: (3-fluoro-1-adamantyl)urea, 1-N-(3-fluoroadamantyl) urea, N-(3-Fluoro-1-adamantyl)urea, (3-Fluoro-adamantan-1-yl)-urea, NCI60_016010
Technical Specifications
| Molecular Formula | C11H17FN2O |
| Molecular Weight | 212.13249 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.13249 Da |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
| SMILES | C1C2CC3(CC1CC(C2)(C3)F)NC(=O)N |
| InChIKey | SBUGVGNGQYOBAX-UHFFFAOYSA-N |
Chemical Property Profile of (3-Fluoro-1-adamantyl)urea
Property Insights of (3-Fluoro-1-adamantyl)urea
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Fluoro-1-adamantyl)urea. With a topological polar surface area (TPSA) of 55.1 Ų, (3-Fluoro-1-adamantyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Fluoro-1-adamantyl)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
What is the CAS number of (3-Fluoro-1-adamantyl)urea?
The CAS number of (3-Fluoro-1-adamantyl)urea is 126525-50-6.
What is the molecular formula of (3-Fluoro-1-adamantyl)urea?
The molecular formula of (3-Fluoro-1-adamantyl)urea is C11H17FN2O.
What is the molecular weight of (3-Fluoro-1-adamantyl)urea?
The molecular weight of (3-Fluoro-1-adamantyl)urea is 212.13249 g/mol.
Where can I buy (3-Fluoro-1-adamantyl)urea?
You can request a quote for (3-Fluoro-1-adamantyl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Fluoro-1-adamantyl)urea?
Yes, CoreyChem provides custom synthesis services for (3-Fluoro-1-adamantyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.