1-Methyl-4-(2-methylbutan-2-yl)benzene
TL;DR: 1-Methyl-4-(2-methylbutan-2-yl)benzene (CAS 4237-70-1) is a chemical compound with molecular formula C12H18 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(2-methylbutan-2-yl)benzene
Also Known As: p-tert-amyltoluene, 1-methyl-4-(2-methylbutan-2-yl)benzene, 1-methyl-4-t-amylbenzene, 2-Methyl-2-p-tolylbutane, p-(1,1-dimethylpropyl)toluene
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 3.68262 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 241.24574 |
Chemical Identifiers
| CAS Number | 4237-70-1 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=C(C=C1)C |
Product Overview
1-Methyl-4-(2-methylbutan-2-yl)benzene (CAS 4237-70-1), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 1-methyl-4-(2-methylbutan-2-yl)benzene.
Chemical Property Profile of 1-Methyl-4-(2-methylbutan-2-yl)benzene
Property Insights of 1-Methyl-4-(2-methylbutan-2-yl)benzene
The XLogP value of 3.68262 indicates that 1-Methyl-4-(2-methylbutan-2-yl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Methyl-4-(2-methylbutan-2-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-(2-methylbutan-2-yl)benzene has 0 hydrogen bond donor(s) and 0 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-Methyl-4-(2-methylbutan-2-yl)benzene?
The CAS number of 1-Methyl-4-(2-methylbutan-2-yl)benzene is 4237-70-1.
What is the molecular formula of 1-Methyl-4-(2-methylbutan-2-yl)benzene?
The molecular formula of 1-Methyl-4-(2-methylbutan-2-yl)benzene is C12H18.
What is the molecular weight of 1-Methyl-4-(2-methylbutan-2-yl)benzene?
The molecular weight of 1-Methyl-4-(2-methylbutan-2-yl)benzene is 162.14 g/mol.
Where can I buy 1-Methyl-4-(2-methylbutan-2-yl)benzene?
You can request a quote for 1-Methyl-4-(2-methylbutan-2-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-(2-methylbutan-2-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(2-methylbutan-2-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.