Benzene, (2-methyl-1-methylenebutyl)-
TL;DR: Benzene, (2-methyl-1-methylenebutyl)- (CAS 26452-86-8) is a chemical compound with molecular formula C12H16 and molecular weight 160.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpent-1-en-2-ylbenzene
Also Known As: alpha-sec-Butylstyrene, (1-Sec-butylvinyl)benzene, 3-methyl-2-phenyl-1-pentene, 3-methylpent-1-en-2-ylbenzene, Benzene, (2-methyl-1-methylenebutyl)-
| Molecular Formula | C12H16 |
|---|---|
| Molecular Weight | 160.13 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.1252 |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 26452-86-8 |
|---|---|
| SMILES | CCC(C)C(=C)C1=CC=CC=C1 |
| InChIKey | NCAUWOIQKZIOBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (2-methyl-1-methylenebutyl)- (CAS 26452-86-8), with molecular formula C12H16 and molecular weight 160.13 g/mol. IUPAC: 3-methylpent-1-en-2-ylbenzene.
Chemical Property Profile of Benzene, (2-methyl-1-methylenebutyl)-
Property Insights of Benzene, (2-methyl-1-methylenebutyl)-
The XLogP value of 4.6 indicates that Benzene, (2-methyl-1-methylenebutyl)- 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-methyl-1-methylenebutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (2-methyl-1-methylenebutyl)- 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-methyl-1-methylenebutyl)-?
The CAS number of Benzene, (2-methyl-1-methylenebutyl)- is 26452-86-8.
What is the molecular formula of Benzene, (2-methyl-1-methylenebutyl)-?
The molecular formula of Benzene, (2-methyl-1-methylenebutyl)- is C12H16.
What is the molecular weight of Benzene, (2-methyl-1-methylenebutyl)-?
The molecular weight of Benzene, (2-methyl-1-methylenebutyl)- is 160.13 g/mol.
Where can I buy Benzene, (2-methyl-1-methylenebutyl)-?
You can request a quote for Benzene, (2-methyl-1-methylenebutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (2-methyl-1-methylenebutyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (2-methyl-1-methylenebutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.