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 211.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C11H17NO3 |
|---|---|
| Molecular Weight | 211.12 g/mol |
| LogP | 2.5536 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.12085 |
| Heavy Atoms | 15 |
| Complexity | 300.9549 |
Chemical Identifiers
| CAS Number | 101974-65-6 |
|---|---|
| SMILES | CC12CC3CC(C1)CC(C3)(C2)O[N+](=O)[O-] |
Product Overview
3-Methyladamantan-1-yl nitrate (CAS 101974-65-6), with molecular formula C11H17NO3 and molecular weight 211.12 g/mol. IUPAC: (3-methyl-1-adamantyl) nitrate.
Chemical Property Profile of 3-Methyladamantan-1-yl nitrate
Property Insights of 3-Methyladamantan-1-yl nitrate
The XLogP value of 2.5536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyladamantan-1-yl nitrate. With a topological polar surface area (TPSA) of 52.37 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
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 211.12 g/mol.
Where can I buy 3-Methyladamantan-1-yl nitrate?
You can request a quote for 3-Methyladamantan-1-yl nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyladamantan-1-yl nitrate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyladamantan-1-yl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.