1-(Adamantan-1-YL)-3-methylurea
TL;DR: 1-(Adamantan-1-YL)-3-methylurea (CAS 126334-09-6) is a chemical compound with molecular formula C12H20N2O and molecular weight 208.15756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-adamantyl)-3-methylurea
Also Known As: 1-adamantyl-3-methyl-urea, 1-(1-adamantyl)-3-methylurea, 1-(ADAMANTAN-1-YL)-3-METHYLUREA
Technical Specifications
| Molecular Formula | C12H20N2O |
| Molecular Weight | 208.15756 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.15756 Da |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
| SMILES | CNC(=O)NC12CC3CC(C1)CC(C3)C2 |
| InChIKey | YNSBIXGHPGLYDV-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Adamantan-1-YL)-3-methylurea
Property Insights of 1-(Adamantan-1-YL)-3-methylurea
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Adamantan-1-YL)-3-methylurea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-(Adamantan-1-YL)-3-methylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Adamantan-1-YL)-3-methylurea 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
What is the CAS number of 1-(Adamantan-1-YL)-3-methylurea?
The CAS number of 1-(Adamantan-1-YL)-3-methylurea is 126334-09-6.
What is the molecular formula of 1-(Adamantan-1-YL)-3-methylurea?
The molecular formula of 1-(Adamantan-1-YL)-3-methylurea is C12H20N2O.
What is the molecular weight of 1-(Adamantan-1-YL)-3-methylurea?
The molecular weight of 1-(Adamantan-1-YL)-3-methylurea is 208.15756 g/mol.
Where can I buy 1-(Adamantan-1-YL)-3-methylurea?
You can request a quote for 1-(Adamantan-1-YL)-3-methylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Adamantan-1-YL)-3-methylurea?
Yes, CoreyChem provides custom synthesis services for 1-(Adamantan-1-YL)-3-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.