![2-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane structure](/static/products/395/395059-54-8.png)
2-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane
TL;DR: 2-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane (CAS 395059-54-8) is a chemical compound with molecular formula C14H20N2 and molecular weight 216.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane
Also Known As: 2-methyl-5-(p-tolyl)-2,5-diazabicyclo[2.2.2]octane, 3-methyl-7-(4-methylphenyl)-3,7-diazabicyclo[2.2.2]octane
| Molecular Formula | C14H20N2 |
|---|---|
| Molecular Weight | 216.16 g/mol |
| LogP | 2.27782 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.16264 |
| Heavy Atoms | 16 |
| Complexity | 370.82666 |
Chemical Identifiers
| CAS Number | 395059-54-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CC3CCC2CN3C |
Product Overview
2-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane (CAS 395059-54-8), with molecular formula C14H20N2 and molecular weight 216.16 g/mol. IUPAC: 2-methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane.
Chemical Property Profile of 2-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane
Property Insights of 2-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane
The XLogP value of 2.27782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane. With a topological polar surface area (TPSA) of 6.48 Ų, 2-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-(4-methylphenyl)-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-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane?
The CAS number of 2-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane is 395059-54-8.
What is the molecular formula of 2-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane?
The molecular formula of 2-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane is C14H20N2.
What is the molecular weight of 2-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane?
The molecular weight of 2-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane is 216.16 g/mol.
Where can I buy 2-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane?
You can request a quote for 2-Methyl-5-(4-methylphenyl)-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-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.