![2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione structure](/static/products/3132/313277-54-2.webp)
2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione (CAS 313277-54-2) is a chemical compound with molecular formula C20H22N2O4 and molecular weight 354.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-adamantyl)ethyl]-5-nitroisoindole-1,3-dione
Also Known As: 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione, 2-[2-(1-adamantyl)ethyl]-5-nitroisoindole-1,3-dione, 2-[2-(Adamantan-1-yl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione, 5-Nitro-2-(2-tricyclo[3.3.1.13,7]dec-1-ylethyl)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C20H22N2O4 |
|---|---|
| Molecular Weight | 354.16 g/mol |
| LogP | 3.7973 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.15796 |
| Heavy Atoms | 26 |
| Complexity | 795.8159 |
Chemical Identifiers
| CAS Number | 313277-54-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CCN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-] |
Product Overview
2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione (CAS 313277-54-2), with molecular formula C20H22N2O4 and molecular weight 354.16 g/mol. IUPAC: 2-[2-(1-adamantyl)ethyl]-5-nitroisoindole-1,3-dione.
Chemical Property Profile of 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione
The XLogP value of 3.7973 indicates that 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione has 0 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 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione is 313277-54-2.
What is the molecular formula of 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione is C20H22N2O4.
What is the molecular weight of 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione is 354.16 g/mol.
Where can I buy 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(1-adamantyl)ethyl]-5-nitro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.