DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline (CAS 54525-54-1) is a chemical compound with molecular formula C17H22N2O and molecular weight 270.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]octan-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
Also Known As: Cid 6453017, DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline, 1-azabicyclo[2.2.2]octan-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone, (3,4-dihydroisoquinolin-2(1H)-yl)(quinuclidin-2-yl)methanone, Isoquinoline, 2-(1-azabicyclo(2.2.2)oct-2-ylcarbonyl)-1,2,3,4-tetrahydro-, (+-)-
| Molecular Formula | C17H22N2O |
|---|---|
| Molecular Weight | 270.17 g/mol |
| LogP | 2.0556 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.17322 |
| Heavy Atoms | 20 |
| Complexity | 519.4762 |
Chemical Identifiers
| CAS Number | 54525-54-1 |
|---|---|
| SMILES | C1CN2CCC1CC2C(=O)N3CCC4=CC=CC=C4C3 |
Product Overview
DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline (CAS 54525-54-1), with molecular formula C17H22N2O and molecular weight 270.17 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-2-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
Chemical Property Profile of DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 2.0556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 23.55 Ų, DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline has 0 hydrogen bond donor(s) and 2 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 DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline is 54525-54-1.
What is the molecular formula of DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline is C17H22N2O.
What is the molecular weight of DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline is 270.17 g/mol.
Where can I buy DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for DL-N-(2-Quinuclidinoyl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.