N-methyl-2-(1-adamantyl)imidazole
TL;DR: N-methyl-2-(1-adamantyl)imidazole (CAS 77139-82-3) is a chemical compound with molecular formula C14H20N2 and molecular weight 216.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-1-methylimidazole
Also Known As: 4-Chloroisoprenaline, N-Methyl-2-(1-adamantyl)imidazole, 2-(1-adamantyl)-1-methylimidazole, Imidazole, 2-(1-adamantyl)-1-methyl-, 2-(1-Adamantyl)-1-methyl-1H-imidazole
| Molecular Formula | C14H20N2 |
|---|---|
| Molecular Weight | 216.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.16264 |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 77139-82-3 |
|---|---|
| SMILES | CN1C=CN=C1C23CC4CC(C2)CC(C4)C3 |
| InChIKey | CBRRJMLAAUIMIX-UHFFFAOYSA-N |
Product Overview
N-methyl-2-(1-adamantyl)imidazole (CAS 77139-82-3), with molecular formula C14H20N2 and molecular weight 216.16 g/mol. IUPAC: 2-(1-adamantyl)-1-methylimidazole.
Chemical Property Profile of N-methyl-2-(1-adamantyl)imidazole
Property Insights of N-methyl-2-(1-adamantyl)imidazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-2-(1-adamantyl)imidazole. With a topological polar surface area (TPSA) of 17.8 Ų, N-methyl-2-(1-adamantyl)imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-2-(1-adamantyl)imidazole has 0 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 N-methyl-2-(1-adamantyl)imidazole?
The CAS number of N-methyl-2-(1-adamantyl)imidazole is 77139-82-3.
What is the molecular formula of N-methyl-2-(1-adamantyl)imidazole?
The molecular formula of N-methyl-2-(1-adamantyl)imidazole is C14H20N2.
What is the molecular weight of N-methyl-2-(1-adamantyl)imidazole?
The molecular weight of N-methyl-2-(1-adamantyl)imidazole is 216.16 g/mol.
Where can I buy N-methyl-2-(1-adamantyl)imidazole?
You can request a quote for N-methyl-2-(1-adamantyl)imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-2-(1-adamantyl)imidazole?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-2-(1-adamantyl)imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.