1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride
TL;DR: 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride (CAS 2277-94-3) is a chemical compound with molecular formula C22H28Cl4N2 and molecular weight 460.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)methyl-[4-[(2-chlorophenyl)methylazaniumyl]-1-bicyclo[2.2.2]octanyl]azanium dichloride
Also Known As: N,N'-Bis(2-chlorobenzyl)-1,4-bicyclo(2.2.2)octanediamine dihydrochloride, Benzylamine, N,N'-(1,4-bicyclo(2.2.2)octylene)bis(2-chloro-, dihydrochloride, N,N'-(1,4-Bicyclo(2.2.2)octylene)bis(2-chlorobenzylamine) dihydrochloride, 1,4-BICYCLO(2.2.2)OCTANEDIAMINE, N,N'-BIS(2-CHLOROBENZYL)-, DIHYDROCHLORIDE, Bicyclo[2.2.2]octane-1,4-diamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
| Molecular Formula | C22H28Cl4N2 |
|---|---|
| Molecular Weight | 460.10 g/mol |
| LogP | -2.33 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.09772 |
| Heavy Atoms | 28 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 2277-94-3 |
|---|---|
| SMILES | C1CC2(CCC1(CC2)[NH2+]CC3=CC=CC=C3Cl)[NH2+]CC4=CC=CC=C4Cl.[Cl-].[Cl-] |
| InChIKey | XRPBPWMZJXTYTJ-UHFFFAOYSA-N |
Product Overview
1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride (CAS 2277-94-3), with molecular formula C22H28Cl4N2 and molecular weight 460.10 g/mol. IUPAC: (2-chlorophenyl)methyl-[4-[(2-chlorophenyl)methylazaniumyl]-1-bicyclo[2.2.2]octanyl]azanium dichloride.
Chemical Property Profile of 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride
Property Insights of 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride
The XLogP value of -2.33 indicates that 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.2 Ų, 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride has 2 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 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride?
The CAS number of 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride is 2277-94-3.
What is the molecular formula of 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride?
The molecular formula of 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride is C22H28Cl4N2.
What is the molecular weight of 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride?
The molecular weight of 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride is 460.10 g/mol.
Where can I buy 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride?
You can request a quote for 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bicyclo(2.2.2)octanediamine, N,N'-bis(2-chlorobenzyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.