Benzene, (1,3-dimethylbutyl)-
TL;DR: Benzene, (1,3-dimethylbutyl)- (CAS 19219-84-2) 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.
4-methylpentan-2-ylbenzene
Also Known As: 2-Methyl-4-phenylpentane, (1,3-Dimethylbutyl)benzene, m-isobutylethylbenzene, 4-methylpentan-2-ylbenzene, (4-Methylpentan-2-yl)benzene
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 19219-84-2 |
|---|---|
| SMILES | CC(C)CC(C)C1=CC=CC=C1 |
| InChIKey | MAUAHKQOJAFLQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (1,3-dimethylbutyl)- (CAS 19219-84-2), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 4-methylpentan-2-ylbenzene.
Chemical Property Profile of Benzene, (1,3-dimethylbutyl)-
Property Insights of Benzene, (1,3-dimethylbutyl)-
The XLogP value of 5.0 indicates that Benzene, (1,3-dimethylbutyl)- 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, (1,3-dimethylbutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (1,3-dimethylbutyl)- 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, (1,3-dimethylbutyl)-?
The CAS number of Benzene, (1,3-dimethylbutyl)- is 19219-84-2.
What is the molecular formula of Benzene, (1,3-dimethylbutyl)-?
The molecular formula of Benzene, (1,3-dimethylbutyl)- is C12H18.
What is the molecular weight of Benzene, (1,3-dimethylbutyl)-?
The molecular weight of Benzene, (1,3-dimethylbutyl)- is 162.14 g/mol.
Where can I buy Benzene, (1,3-dimethylbutyl)-?
You can request a quote for Benzene, (1,3-dimethylbutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (1,3-dimethylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (1,3-dimethylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.