3-Methyladamantan-1-yl nitrate
TL;DR: 3-Methyladamantan-1-yl nitrate (CAS 101974-65-6) is a chemical compound with molecular formula C11H17NO3 and molecular weight 211.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-methyl-1-adamantyl) nitrate
Also Known As: 3-methyladamantan-1-yl nitrate, 1-methyl-3-(nitrooxy)adamantane, 3-methyl-1-adamantanol nitrate, (3-methyl-1-adamantyl) nitrate
Technical Specifications
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.12085 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.12085 Da |
| Heavy Atoms | 15 |
| Complexity | 295.0 |
| SMILES | CC12CC3CC(C1)CC(C3)(C2)O[N+](=O)[O-] |
| InChIKey | CWLRKOZVJDLYMK-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyladamantan-1-yl nitrate
Property Insights of 3-Methyladamantan-1-yl nitrate
The XLogP value of 4.2 indicates that 3-Methyladamantan-1-yl nitrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 3-Methyladamantan-1-yl nitrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyladamantan-1-yl nitrate has 0 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 3-Methyladamantan-1-yl nitrate?
The CAS number of 3-Methyladamantan-1-yl nitrate is 101974-65-6.
What is the molecular formula of 3-Methyladamantan-1-yl nitrate?
The molecular formula of 3-Methyladamantan-1-yl nitrate is C11H17NO3.
What is the molecular weight of 3-Methyladamantan-1-yl nitrate?
The molecular weight of 3-Methyladamantan-1-yl nitrate is 211.12085 g/mol.
Where can I buy 3-Methyladamantan-1-yl nitrate?
You can request a quote for 3-Methyladamantan-1-yl nitrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyladamantan-1-yl nitrate?
Yes, CoreyChem provides custom synthesis services for 3-Methyladamantan-1-yl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.