Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)-
TL;DR: Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)- (CAS 63990-94-3) is a chemical compound with molecular formula C28H36N2 and molecular weight 400.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1-bicyclo[2.2.2]octanyl]methyl]-1,2,3,4-tetrahydroisoquinoline
Also Known As: BICYCLO(2.2.2)OCTANE, 1,4-BIS(1,2,3,4-TETRAHYDROISOQUINOLYLMETHYL)-, 1,4-Bis(1,2,3,4-tetrahydroisoquinolylmethyl)-1,4-bicyclo(2.2.2)octane, 1,1'-[Bicyclo[2.2.2]octane-1,4-diylbis(methylene)]di-1,2,3,4-tetrahydroisoquinoline, Isoquinoline, [bicyclo[2.2.2]octane-1,4-diylbis(methylene)]bis[1,2,3,4-tetrahydro-, 1-[[4-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1-bicyclo[2.2.2]octanyl]methyl]-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C28H36N2 |
|---|---|
| Molecular Weight | 400.29 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.28784 |
| Heavy Atoms | 30 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 63990-94-3 |
|---|---|
| SMILES | C1CNC(C2=CC=CC=C21)CC34CCC(CC3)(CC4)CC5C6=CC=CC=C6CCN5 |
| InChIKey | DDOXROFFXDWGCO-UHFFFAOYSA-N |
Product Overview
Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)- (CAS 63990-94-3), with molecular formula C28H36N2 and molecular weight 400.29 g/mol. IUPAC: 1-[[4-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1-bicyclo[2.2.2]octanyl]methyl]-1,2,3,4-tetrahydroisoquinoline.
Chemical Property Profile of Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)-
Property Insights of Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)-
The XLogP value of 6.2 indicates that Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)-?
The CAS number of Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)- is 63990-94-3.
What is the molecular formula of Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)-?
The molecular formula of Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)- is C28H36N2.
What is the molecular weight of Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)-?
The molecular weight of Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)- is 400.29 g/mol.
Where can I buy Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)-?
You can request a quote for Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.