![3-Isocyano-1-azabicyclo[2.2.2]octane structure](/static/products/602/602268-99-5.png)
3-Isocyano-1-azabicyclo[2.2.2]octane
TL;DR: 3-Isocyano-1-azabicyclo[2.2.2]octane (CAS 602268-99-5) is a chemical compound with molecular formula C8H12N2 and molecular weight 136.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isocyano-1-azabicyclo[2.2.2]octane
Also Known As: 3-isocyano-1-azabicyclo[2.2.2]octane, 8-isocyano-1-azabicyclo[2.2.2]octane, 1-Azabicyclo[2.2.2]octane, 3-isocyano- (9CI)
| Molecular Formula | C8H12N2 |
|---|---|
| Molecular Weight | 136.10 g/mol |
| LogP | 0.99989 |
| Topological Polar Surface Area | 7.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.10005 |
| Heavy Atoms | 10 |
| Complexity | 162.58662 |
Chemical Identifiers
| CAS Number | 602268-99-5 |
|---|---|
| SMILES | [C-]#[N+]C1CN2CCC1CC2 |
Product Overview
3-Isocyano-1-azabicyclo[2.2.2]octane (CAS 602268-99-5), with molecular formula C8H12N2 and molecular weight 136.10 g/mol. IUPAC: 3-isocyano-1-azabicyclo[2.2.2]octane.
Chemical Property Profile of 3-Isocyano-1-azabicyclo[2.2.2]octane
Property Insights of 3-Isocyano-1-azabicyclo[2.2.2]octane
The XLogP value of 0.99989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isocyano-1-azabicyclo[2.2.2]octane. With a topological polar surface area (TPSA) of 7.6 Ų, 3-Isocyano-1-azabicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isocyano-1-azabicyclo[2.2.2]octane has 0 hydrogen bond donor(s) and 1 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-Isocyano-1-azabicyclo[2.2.2]octane?
The CAS number of 3-Isocyano-1-azabicyclo[2.2.2]octane is 602268-99-5.
What is the molecular formula of 3-Isocyano-1-azabicyclo[2.2.2]octane?
The molecular formula of 3-Isocyano-1-azabicyclo[2.2.2]octane is C8H12N2.
What is the molecular weight of 3-Isocyano-1-azabicyclo[2.2.2]octane?
The molecular weight of 3-Isocyano-1-azabicyclo[2.2.2]octane is 136.10 g/mol.
Where can I buy 3-Isocyano-1-azabicyclo[2.2.2]octane?
You can request a quote for 3-Isocyano-1-azabicyclo[2.2.2]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isocyano-1-azabicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 3-Isocyano-1-azabicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.