Benzene, 1-bromo-4-(2-propenyl)-
TL;DR: Benzene, 1-bromo-4-(2-propenyl)- (CAS 2294-43-1) is a chemical compound with molecular formula C=CCC1=CC=C(C=C1)Br and molecular weight 195.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-prop-2-enylbenzene
Also Known As: 1-Allyl-4-bromobenzene, 3-(4-Bromophenyl)-1-propene, 1-allyl-4-bromo-benzene, 1-bromo-4-(prop-2-en-1-yl)benzene, Benzene, 1-bromo-4-(2-propenyl)-
| Molecular Formula | C=CCC1=CC=C(C=C1)Br |
|---|---|
| Molecular Weight | 195.99 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.98875 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 2294-43-1 |
|---|---|
| SMILES | C=CCC1=CC=C(C=C1)Br |
| InChIKey | LIGHOIDTGDLAKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-bromo-4-(2-propenyl)- (CAS 2294-43-1), with molecular formula C=CCC1=CC=C(C=C1)Br and molecular weight 195.99 g/mol. IUPAC: 1-bromo-4-prop-2-enylbenzene.
Chemical Property Profile of Benzene, 1-bromo-4-(2-propenyl)-
Property Insights of Benzene, 1-bromo-4-(2-propenyl)-
The XLogP value of 3.7 indicates that Benzene, 1-bromo-4-(2-propenyl)- 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-bromo-4-(2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-bromo-4-(2-propenyl)- 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-bromo-4-(2-propenyl)-?
The CAS number of Benzene, 1-bromo-4-(2-propenyl)- is 2294-43-1.
What is the molecular formula of Benzene, 1-bromo-4-(2-propenyl)-?
The molecular formula of Benzene, 1-bromo-4-(2-propenyl)- is C=CCC1=CC=C(C=C1)Br.
What is the molecular weight of Benzene, 1-bromo-4-(2-propenyl)-?
The molecular weight of Benzene, 1-bromo-4-(2-propenyl)- is 195.99 g/mol.
Where can I buy Benzene, 1-bromo-4-(2-propenyl)-?
You can request a quote for Benzene, 1-bromo-4-(2-propenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-bromo-4-(2-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-bromo-4-(2-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.