4-Bromo-1-azabicyclo(2.2.2)octane
TL;DR: 4-Bromo-1-azabicyclo(2.2.2)octane (CAS 2181-19-3) is a chemical compound with molecular formula C1CN2CCC1(CC2)Br and molecular weight 189.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-azabicyclo[2.2.2]octane
Also Known As: 4-bromoquinuclidine, 4-bromoquinucli-dine, 4-Bromo-1-azabicyclo[2.2.2]octane, 4-Bromo-1-azabicyclo(2.2.2)octane, 1-Azabicyclo[2.2.2]octane,4-bromo-
| Molecular Formula | C1CN2CCC1(CC2)Br |
|---|---|
| Molecular Weight | 189.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.0153 |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 2181-19-3 |
|---|---|
| SMILES | C1CN2CCC1(CC2)Br |
| InChIKey | ZUEBXWFONILVTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-1-azabicyclo(2.2.2)octane (CAS 2181-19-3), with molecular formula C1CN2CCC1(CC2)Br and molecular weight 189.02 g/mol. IUPAC: 4-bromo-1-azabicyclo[2.2.2]octane.
Chemical Property Profile of 4-Bromo-1-azabicyclo(2.2.2)octane
Property Insights of 4-Bromo-1-azabicyclo(2.2.2)octane
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1-azabicyclo(2.2.2)octane. With a topological polar surface area (TPSA) of 3.2 Ų, 4-Bromo-1-azabicyclo(2.2.2)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-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 4-Bromo-1-azabicyclo(2.2.2)octane?
The CAS number of 4-Bromo-1-azabicyclo(2.2.2)octane is 2181-19-3.
What is the molecular formula of 4-Bromo-1-azabicyclo(2.2.2)octane?
The molecular formula of 4-Bromo-1-azabicyclo(2.2.2)octane is C1CN2CCC1(CC2)Br.
What is the molecular weight of 4-Bromo-1-azabicyclo(2.2.2)octane?
The molecular weight of 4-Bromo-1-azabicyclo(2.2.2)octane is 189.02 g/mol.
Where can I buy 4-Bromo-1-azabicyclo(2.2.2)octane?
You can request a quote for 4-Bromo-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 4-Bromo-1-azabicyclo(2.2.2)octane?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-azabicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.