![5-Nitrobicyclo[2.2.2]oct-2-ene structure](/static/products/769/769-44-8.png)
5-Nitrobicyclo[2.2.2]oct-2-ene
TL;DR: 5-Nitrobicyclo[2.2.2]oct-2-ene (CAS 769-44-8) is a chemical compound with molecular formula C8H11NO2 and molecular weight 153.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitrobicyclo[2.2.2]oct-2-ene
Also Known As: 5-nitrobicyclo[2.2.2]oct-2-ene, 5-nitro-bicyclo[2.2.2]oct-2-ene, (1R,4R,5R)-5-nitrobicyclo[2.2.2]oct-2-ene
| Molecular Formula | C8H11NO2 |
|---|---|
| Molecular Weight | 153.08 g/mol |
| LogP | 1.6178 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.07898 |
| Heavy Atoms | 11 |
| Complexity | 212.1376 |
Chemical Identifiers
| CAS Number | 769-44-8 |
|---|---|
| SMILES | C1CC2C=CC1CC2[N+](=O)[O-] |
Product Overview
5-Nitrobicyclo[2.2.2]oct-2-ene (CAS 769-44-8), with molecular formula C8H11NO2 and molecular weight 153.08 g/mol. IUPAC: 5-nitrobicyclo[2.2.2]oct-2-ene.
Chemical Property Profile of 5-Nitrobicyclo[2.2.2]oct-2-ene
Property Insights of 5-Nitrobicyclo[2.2.2]oct-2-ene
The XLogP value of 1.6178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitrobicyclo[2.2.2]oct-2-ene. With a topological polar surface area (TPSA) of 43.14 Ų, 5-Nitrobicyclo[2.2.2]oct-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Nitrobicyclo[2.2.2]oct-2-ene has 0 hydrogen bond donor(s) and 2 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 5-Nitrobicyclo[2.2.2]oct-2-ene?
The CAS number of 5-Nitrobicyclo[2.2.2]oct-2-ene is 769-44-8.
What is the molecular formula of 5-Nitrobicyclo[2.2.2]oct-2-ene?
The molecular formula of 5-Nitrobicyclo[2.2.2]oct-2-ene is C8H11NO2.
What is the molecular weight of 5-Nitrobicyclo[2.2.2]oct-2-ene?
The molecular weight of 5-Nitrobicyclo[2.2.2]oct-2-ene is 153.08 g/mol.
Where can I buy 5-Nitrobicyclo[2.2.2]oct-2-ene?
You can request a quote for 5-Nitrobicyclo[2.2.2]oct-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitrobicyclo[2.2.2]oct-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitrobicyclo[2.2.2]oct-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.