![2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane structure](/static/products/5866/58664-79-2.webp)
2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane
TL;DR: 2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane (CAS 58664-79-2) is a chemical compound with molecular formula C13H16ClN and molecular weight 221.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-phenyl-1-azabicyclo[2.2.2]octane
Also Known As: 2-Chloro-4-phenylquinuclidine, 2-Chloro-4-phenylquinuclidine #, 2-chloro-4-phenyl-1-azabicyclo[2.2.2]octane, 1-Azabicyclo[2.2.2]octane, 2-chloro-4-phenyl-
| Molecular Formula | C13H16ClN |
|---|---|
| Molecular Weight | 221.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.09712 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 58664-79-2 |
|---|---|
| SMILES | C1CN2CCC1(CC2Cl)C3=CC=CC=C3 |
| InChIKey | NLLKUNTTXKUARA-UHFFFAOYSA-N |
Product Overview
2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane (CAS 58664-79-2), with molecular formula C13H16ClN and molecular weight 221.10 g/mol. IUPAC: 2-chloro-4-phenyl-1-azabicyclo[2.2.2]octane.
Chemical Property Profile of 2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane
Property Insights of 2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane
The XLogP value of 3.4 indicates that 2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-phenyl-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 2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane?
The CAS number of 2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane is 58664-79-2.
What is the molecular formula of 2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane?
The molecular formula of 2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane is C13H16ClN.
What is the molecular weight of 2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane?
The molecular weight of 2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane is 221.10 g/mol.
Where can I buy 2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane?
You can request a quote for 2-Chloro-4-phenyl-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 2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-phenyl-1-azabicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.