Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl
TL;DR: Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl (CAS 42861-84-7) 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.
2-tert-butyl-1,4-dimethylbenzene
Also Known As: t-butyl-p-xylene, Xylometazoline Impurity 8, 2-(tert-butyl)-1,4-dimethylbenzene, 2-tert-butyl-1,4-dimethylbenzene, Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 42861-84-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C(C)(C)C |
| InChIKey | IRMLULIFOFYBTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl (CAS 42861-84-7), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 2-tert-butyl-1,4-dimethylbenzene.
Chemical Property Profile of Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl
Property Insights of Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl
The XLogP value of 4.3 indicates that Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl 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, 2-(1,1-dimethylethyl)-1,4-dimethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl 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, 2-(1,1-dimethylethyl)-1,4-dimethyl?
The CAS number of Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl is 42861-84-7.
What is the molecular formula of Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl?
The molecular formula of Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl is C12H18.
What is the molecular weight of Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl?
The molecular weight of Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl is 162.14 g/mol.
Where can I buy Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl?
You can request a quote for Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-(1,1-dimethylethyl)-1,4-dimethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.