Benzene, (3-methyl-2-butenyl)-
TL;DR: Benzene, (3-methyl-2-butenyl)- (CAS 4489-84-3) is a chemical compound with molecular formula C11H14 and molecular weight 146.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-enylbenzene
Also Known As: 3-Methyl-1-phenyl-2-butene, 3-methylbut-2-enylbenzene, prenylbenzene, (3-METHYL-2-BUTENYL)BENZENE, (3-methylbut-2-en-1-yl)benzene
| Molecular Formula | C11H14 |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.10954 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 4489-84-3 |
|---|---|
| SMILES | CC(=CCC1=CC=CC=C1)C |
| InChIKey | XGADZHWYGCKKJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (3-methyl-2-butenyl)- (CAS 4489-84-3), with molecular formula C11H14 and molecular weight 146.11 g/mol. IUPAC: 3-methylbut-2-enylbenzene.
Chemical Property Profile of Benzene, (3-methyl-2-butenyl)-
Property Insights of Benzene, (3-methyl-2-butenyl)-
The XLogP value of 4.1 indicates that Benzene, (3-methyl-2-butenyl)- 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, (3-methyl-2-butenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (3-methyl-2-butenyl)- 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, (3-methyl-2-butenyl)-?
The CAS number of Benzene, (3-methyl-2-butenyl)- is 4489-84-3.
What is the molecular formula of Benzene, (3-methyl-2-butenyl)-?
The molecular formula of Benzene, (3-methyl-2-butenyl)- is C11H14.
What is the molecular weight of Benzene, (3-methyl-2-butenyl)-?
The molecular weight of Benzene, (3-methyl-2-butenyl)- is 146.11 g/mol.
Where can I buy Benzene, (3-methyl-2-butenyl)-?
You can request a quote for Benzene, (3-methyl-2-butenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (3-methyl-2-butenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (3-methyl-2-butenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.