2-Butene, 1-bromo-3-methyl-
TL;DR: 2-Butene, 1-bromo-3-methyl- (CAS 870-63-3) is a chemical compound with molecular formula C5H9Br and molecular weight 147.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-methylbut-2-ene
Also Known As: 3,3-Dimethylallyl bromide, 1-Bromo-3-methyl-2-butene, 1-Bromo-3-methylbut-2-ene, Prenyl bromide, 3-Methyl-2-butenyl bromide
| Molecular Formula | C5H9Br |
|---|---|
| Molecular Weight | 147.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.98875 |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 870-63-3 |
|---|---|
| SMILES | CC(=CCBr)C |
| InChIKey | LOYZVRIHVZEDMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butene, 1-bromo-3-methyl- (CAS 870-63-3), with molecular formula C5H9Br and molecular weight 147.99 g/mol. IUPAC: 1-bromo-3-methylbut-2-ene.
Chemical Property Profile of 2-Butene, 1-bromo-3-methyl-
Property Insights of 2-Butene, 1-bromo-3-methyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butene, 1-bromo-3-methyl-. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Butene, 1-bromo-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butene, 1-bromo-3-methyl- 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 2-Butene, 1-bromo-3-methyl-?
The CAS number of 2-Butene, 1-bromo-3-methyl- is 870-63-3.
What is the molecular formula of 2-Butene, 1-bromo-3-methyl-?
The molecular formula of 2-Butene, 1-bromo-3-methyl- is C5H9Br.
What is the molecular weight of 2-Butene, 1-bromo-3-methyl-?
The molecular weight of 2-Butene, 1-bromo-3-methyl- is 147.99 g/mol.
Where can I buy 2-Butene, 1-bromo-3-methyl-?
You can request a quote for 2-Butene, 1-bromo-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butene, 1-bromo-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butene, 1-bromo-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.