1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1)
TL;DR: 1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1) (CAS 3818-79-9) is a chemical compound with molecular formula C22H26ClNO2 and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylpropanoate;hydrochloride
Also Known As: Aprolidin, Aprolidine, 2,2-Diphenylpropionic acid 3-quinuclidinyl ester hydrochloride, Propionic acid, 2,2-diphenyl-, 3-quinuclidinyl ester, hydrochloride, 1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylpropanoate;hydrochloride
| Molecular Formula | C22H26ClNO2 |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 4.0518 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.1652 |
| Heavy Atoms | 26 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 3818-79-9 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4.Cl |
| InChIKey | KVWZRIJJNXGLDX-UHFFFAOYSA-N |
Product Overview
1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1) (CAS 3818-79-9), with molecular formula C22H26ClNO2 and molecular weight 371.17 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylpropanoate;hydrochloride.
Chemical Property Profile of 1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1)
Property Insights of 1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1)
The XLogP value of 4.0518 indicates that 1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 3 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-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1)?
The CAS number of 1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1) is 3818-79-9.
What is the molecular formula of 1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1)?
The molecular formula of 1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1) is C22H26ClNO2.
What is the molecular weight of 1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1)?
The molecular weight of 1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1) is 371.17 g/mol.
Where can I buy 1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1)?
You can request a quote for 1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.