Benzene, (2-methylene-3-butenyl)-
TL;DR: Benzene, (2-methylene-3-butenyl)- (CAS 16079-66-6) is a chemical compound with molecular formula C11H12 and molecular weight 144.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylidenebut-3-enylbenzene
Also Known As: 2-benzylbutadiene, 2-Benzylbuta-1,3-diene, 2-benzyl-1,3-butadiene, benzene, (2-methylene-3-butenyl)-, (2-methylenebut-3-en-1-yl)benzene
| Molecular Formula | C11H12 |
|---|---|
| Molecular Weight | 144.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.0939 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 16079-66-6 |
|---|---|
| SMILES | C=CC(=C)CC1=CC=CC=C1 |
| InChIKey | HIVLIDXXXODBCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (2-methylene-3-butenyl)- (CAS 16079-66-6), with molecular formula C11H12 and molecular weight 144.09 g/mol. IUPAC: 2-methylidenebut-3-enylbenzene.
Chemical Property Profile of Benzene, (2-methylene-3-butenyl)-
Property Insights of Benzene, (2-methylene-3-butenyl)-
The XLogP value of 4.0 indicates that Benzene, (2-methylene-3-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, (2-methylene-3-butenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (2-methylene-3-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, (2-methylene-3-butenyl)-?
The CAS number of Benzene, (2-methylene-3-butenyl)- is 16079-66-6.
What is the molecular formula of Benzene, (2-methylene-3-butenyl)-?
The molecular formula of Benzene, (2-methylene-3-butenyl)- is C11H12.
What is the molecular weight of Benzene, (2-methylene-3-butenyl)-?
The molecular weight of Benzene, (2-methylene-3-butenyl)- is 144.09 g/mol.
Where can I buy Benzene, (2-methylene-3-butenyl)-?
You can request a quote for Benzene, (2-methylene-3-butenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (2-methylene-3-butenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (2-methylene-3-butenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.