Benzene, 1-methyl-4-(2-methylpropyl)-
TL;DR: Benzene, 1-methyl-4-(2-methylpropyl)- (CAS 5161-04-6) is a chemical compound with molecular formula C11H16 and molecular weight 148.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(2-methylpropyl)benzene
Also Known As: Toluene, p-isobutyl-, 4-Isobutyltoluene, P-ISOBUTYLTOLUENE, 1-METHYL-4-ISOBUTYLBENZENE, 1-methyl-4-(2-methylpropyl)benzene
| Molecular Formula | C11H16 |
|---|---|
| Molecular Weight | 148.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.1252 |
| Heavy Atoms | 11 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 5161-04-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC(C)C |
| InChIKey | VCGBZXLLPCGFQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methyl-4-(2-methylpropyl)- (CAS 5161-04-6), with molecular formula C11H16 and molecular weight 148.13 g/mol. IUPAC: 1-methyl-4-(2-methylpropyl)benzene.
Chemical Property Profile of Benzene, 1-methyl-4-(2-methylpropyl)-
Property Insights of Benzene, 1-methyl-4-(2-methylpropyl)-
The XLogP value of 3.9 indicates that Benzene, 1-methyl-4-(2-methylpropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1-methyl-4-(2-methylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methyl-4-(2-methylpropyl)- 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 Benzene, 1-methyl-4-(2-methylpropyl)-?
The CAS number of Benzene, 1-methyl-4-(2-methylpropyl)- is 5161-04-6.
What is the molecular formula of Benzene, 1-methyl-4-(2-methylpropyl)-?
The molecular formula of Benzene, 1-methyl-4-(2-methylpropyl)- is C11H16.
What is the molecular weight of Benzene, 1-methyl-4-(2-methylpropyl)-?
The molecular weight of Benzene, 1-methyl-4-(2-methylpropyl)- is 148.13 g/mol.
Where can I buy Benzene, 1-methyl-4-(2-methylpropyl)-?
You can request a quote for Benzene, 1-methyl-4-(2-methylpropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methyl-4-(2-methylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methyl-4-(2-methylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.