Bromomethylbutadiene
TL;DR: Bromomethylbutadiene (CAS 52022-82-9) is a chemical compound with molecular formula C5H7Br and molecular weight 145.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromopenta-1,3-diene
Also Known As: bromomethylbutadiene, 5-bromopenta-1,3-diene, bromopenta-2,4-diene, 1-brom-2,4-pentadien, 1-bromo-2,4-penadiene
| Molecular Formula | C5H7Br |
|---|---|
| Molecular Weight | 145.97 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.97311 |
| Heavy Atoms | 6 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 52022-82-9 |
|---|---|
| SMILES | C=CC=CCBr |
| InChIKey | LGKANOVVJSORFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromomethylbutadiene (CAS 52022-82-9), with molecular formula C5H7Br and molecular weight 145.97 g/mol. IUPAC: 5-bromopenta-1,3-diene.
Chemical Property Profile of Bromomethylbutadiene
Property Insights of Bromomethylbutadiene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromomethylbutadiene. With a topological polar surface area (TPSA) of 0.0 Ų, Bromomethylbutadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromomethylbutadiene 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 Bromomethylbutadiene?
The CAS number of Bromomethylbutadiene is 52022-82-9.
What is the molecular formula of Bromomethylbutadiene?
The molecular formula of Bromomethylbutadiene is C5H7Br.
What is the molecular weight of Bromomethylbutadiene?
The molecular weight of Bromomethylbutadiene is 145.97 g/mol.
Where can I buy Bromomethylbutadiene?
You can request a quote for Bromomethylbutadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromomethylbutadiene?
Yes, KEHONG BIO provides custom synthesis services for Bromomethylbutadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.