1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one
TL;DR: 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one (CAS 10315-08-9) is a chemical compound with molecular formula C14H18NO+ and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-1-azoniabicyclo[2.2.2]octan-3-one
Also Known As: 1-benzylquinuclidin-1-ium-3-one, 1-benzyl-3-oxoquinuclidinium bromide, 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one, 1-benzyl-1-azoniabicyclo[2.2.2]octan-3-one, 1-Benzyl-3-oxo-1-azabicyclo[2.2.2]octan-1-ium
| Molecular Formula | C14H18NO+ |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.13884 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 10315-08-9 |
|---|---|
| SMILES | C1C[N+]2(CCC1C(=O)C2)CC3=CC=CC=C3 |
| InChIKey | FVHJUTYAQQXYIV-UHFFFAOYSA-N |
Product Overview
1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one (CAS 10315-08-9), with molecular formula C14H18NO+ and molecular weight 216.14 g/mol. IUPAC: 1-benzyl-1-azoniabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one
Property Insights of 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one 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 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one?
The CAS number of 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one is 10315-08-9.
What is the molecular formula of 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one?
The molecular formula of 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one is C14H18NO+.
What is the molecular weight of 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one?
The molecular weight of 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one is 216.14 g/mol.
Where can I buy 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one?
You can request a quote for 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.