![2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane structure](/static/products/395/395059-46-8.png)
2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
TL;DR: 2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane (CAS 395059-46-8) is a chemical compound with molecular formula C13H17ClN2 and molecular weight 236.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
Also Known As: 2-(4-chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane, 7-(4-chlorophenyl)-3-methyl-3,7-diazabicyclo[2.2.2]octane
| Molecular Formula | C13H17ClN2 |
|---|---|
| Molecular Weight | 236.11 g/mol |
| LogP | 2.6228 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.10803 |
| Heavy Atoms | 16 |
| Complexity | 376.02393 |
Chemical Identifiers
| CAS Number | 395059-46-8 |
|---|---|
| SMILES | CN1CC2CCC1CN2C3=CC=C(C=C3)Cl |
Product Overview
2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane (CAS 395059-46-8), with molecular formula C13H17ClN2 and molecular weight 236.11 g/mol. IUPAC: 2-(4-chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane.
Chemical Property Profile of 2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
Property Insights of 2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
The XLogP value of 2.6228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane. With a topological polar surface area (TPSA) of 6.48 Ų, 2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane 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 2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane?
The CAS number of 2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane is 395059-46-8.
What is the molecular formula of 2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane?
The molecular formula of 2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane is C13H17ClN2.
What is the molecular weight of 2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane?
The molecular weight of 2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane is 236.11 g/mol.
Where can I buy 2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane?
You can request a quote for 2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.