(3-Acetamido-1-adamantyl)methyl nitrate
TL;DR: (3-Acetamido-1-adamantyl)methyl nitrate (CAS 174497-29-1) is a chemical compound with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetamido-1-adamantyl)methyl nitrate
Also Known As: (3-acetamido-1-adamantyl)methyl nitrate, AB01334819-02, (3-ACETAMIDOADAMANTAN-1-YL)METHYL NITRATE, ((1r,3s,5R,7S)-3-acetamidoadamantan-1-yl)methyl nitrate, [3-(acetylamino)tricyclo[3.3.1.1~3,7~]dec-1-yl]methyl nitrate
| Molecular Formula | C13H20N2O4 |
|---|---|
| Molecular Weight | 268.14 g/mol |
| LogP | 1.6698 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.1423 |
| Heavy Atoms | 19 |
| Complexity | 408.86627 |
Chemical Identifiers
| CAS Number | 174497-29-1 |
|---|---|
| SMILES | CC(=O)NC12CC3CC(C1)CC(C3)(C2)CO[N+](=O)[O-] |
Product Overview
(3-Acetamido-1-adamantyl)methyl nitrate (CAS 174497-29-1), with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol. IUPAC: (3-acetamido-1-adamantyl)methyl nitrate.
Chemical Property Profile of (3-Acetamido-1-adamantyl)methyl nitrate
Property Insights of (3-Acetamido-1-adamantyl)methyl nitrate
The XLogP value of 1.6698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Acetamido-1-adamantyl)methyl nitrate. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Acetamido-1-adamantyl)methyl nitrate. Following Lipinski's Rule of Five, (3-Acetamido-1-adamantyl)methyl nitrate has 1 hydrogen bond donor(s) and 4 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-Acetamido-1-adamantyl)methyl nitrate?
The CAS number of (3-Acetamido-1-adamantyl)methyl nitrate is 174497-29-1.
What is the molecular formula of (3-Acetamido-1-adamantyl)methyl nitrate?
The molecular formula of (3-Acetamido-1-adamantyl)methyl nitrate is C13H20N2O4.
What is the molecular weight of (3-Acetamido-1-adamantyl)methyl nitrate?
The molecular weight of (3-Acetamido-1-adamantyl)methyl nitrate is 268.14 g/mol.
Where can I buy (3-Acetamido-1-adamantyl)methyl nitrate?
You can request a quote for (3-Acetamido-1-adamantyl)methyl nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Acetamido-1-adamantyl)methyl nitrate?
Yes, KEHONG BIO provides custom synthesis services for (3-Acetamido-1-adamantyl)methyl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.