![1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane structure](/static/products/682/682737-39-9.png)
1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane
TL;DR: 1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane (CAS 682737-39-9) is a chemical compound with molecular formula C19H23N2+ and molecular weight 279.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane
Also Known As: 1-benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane, 4-benzhydryl-1-aza-4-azoniabicyclo[2.2.2]octane, J2.512.311E, AQ-917/42754482, 1-(diphenylmethyl)-1,4-diazabicyclo[2.2.2]octan-1-ium
| Molecular Formula | C19H23N2+ |
|---|---|
| Molecular Weight | 279.19 g/mol |
| LogP | 2.922 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.18613 |
| Heavy Atoms | 21 |
| Complexity | 532.2037 |
Chemical Identifiers
| CAS Number | 682737-39-9 |
|---|---|
| SMILES | C1C[N+]2(CCN1CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane (CAS 682737-39-9), with molecular formula C19H23N2+ and molecular weight 279.19 g/mol. IUPAC: 1-benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane.
Chemical Property Profile of 1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane
Property Insights of 1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane
The XLogP value of 2.922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane. With a topological polar surface area (TPSA) of 3.24 Ų, 1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzhydryl-4-aza-1-azoniabicyclo[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 1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane?
The CAS number of 1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane is 682737-39-9.
What is the molecular formula of 1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane?
The molecular formula of 1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane is C19H23N2+.
What is the molecular weight of 1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane?
The molecular weight of 1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane is 279.19 g/mol.
Where can I buy 1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane?
You can request a quote for 1-Benzhydryl-4-aza-1-azoniabicyclo[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 1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzhydryl-4-aza-1-azoniabicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.