3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone
TL;DR: 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone (CAS 54750-05-9) is a chemical compound with molecular formula C22H26N2O and molecular weight 334.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-azabicyclo[2.2.2]octan-3-ylamino)-1,2-diphenylpropan-1-one
Also Known As: 2-Phenyl-3-(3-quinuclidinylamino)propiophenone, quinolin-3-ylmethanamine dihydrochloride, Propiophenone, 2-phenyl-3-(3-quinuclidinylamino)-, 5-22-08-00228 (Beilstein Handbook Reference), 1,2-diphenyl-3-(quinuclidin-3-ylamino)propan-1-one
| Molecular Formula | C22H26N2O |
|---|---|
| Molecular Weight | 334.20 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.2045 |
| Heavy Atoms | 25 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 54750-05-9 |
|---|---|
| SMILES | C1CN2CCC1C(C2)NCC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4 |
| InChIKey | DDLAHAHXSPIZQL-UHFFFAOYSA-N |
Product Overview
3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone (CAS 54750-05-9), with molecular formula C22H26N2O and molecular weight 334.20 g/mol. IUPAC: 3-(1-azabicyclo[2.2.2]octan-3-ylamino)-1,2-diphenylpropan-1-one.
Chemical Property Profile of 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone
Property Insights of 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone
The XLogP value of 4.0 indicates that 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone 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 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone?
The CAS number of 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone is 54750-05-9.
What is the molecular formula of 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone?
The molecular formula of 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone is C22H26N2O.
What is the molecular weight of 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone?
The molecular weight of 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone is 334.20 g/mol.
Where can I buy 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone?
You can request a quote for 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Azabicyclo(2.2.2)oct-3-ylamino)-1,2-diphenyl-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.