2-(Bromomethyl)-3-methylbuta-1,3-diene
TL;DR: 2-(Bromomethyl)-3-methylbuta-1,3-diene (CAS 74793-41-2) is a chemical compound with molecular formula C6H9Br and molecular weight 159.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(bromomethyl)-3-methylbuta-1,3-diene
Also Known As: 2-(bromomethyl)-3-methylbuta-1,3-diene, 2-(Bromomethyl)-3-methyl-1,3-butadiene, 2-bromomethyl-3-methyl-buta-1,3-diene, 1,3-Butadiene, 2-(bromomethyl)-3-methyl-, 2-(Bromomethyl)-3-methyl-1,3-butadiene #
| Molecular Formula | C6H9Br |
|---|---|
| Molecular Weight | 159.99 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.98875 |
| Heavy Atoms | 7 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 74793-41-2 |
|---|---|
| SMILES | CC(=C)C(=C)CBr |
| InChIKey | GDBFIDNDRWZZBQ-UHFFFAOYSA-N |
Product Overview
2-(Bromomethyl)-3-methylbuta-1,3-diene (CAS 74793-41-2), with molecular formula C6H9Br and molecular weight 159.99 g/mol. IUPAC: 2-(bromomethyl)-3-methylbuta-1,3-diene.
Chemical Property Profile of 2-(Bromomethyl)-3-methylbuta-1,3-diene
Property Insights of 2-(Bromomethyl)-3-methylbuta-1,3-diene
The XLogP value of 3.3 indicates that 2-(Bromomethyl)-3-methylbuta-1,3-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-(Bromomethyl)-3-methylbuta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Bromomethyl)-3-methylbuta-1,3-diene 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-(Bromomethyl)-3-methylbuta-1,3-diene?
The CAS number of 2-(Bromomethyl)-3-methylbuta-1,3-diene is 74793-41-2.
What is the molecular formula of 2-(Bromomethyl)-3-methylbuta-1,3-diene?
The molecular formula of 2-(Bromomethyl)-3-methylbuta-1,3-diene is C6H9Br.
What is the molecular weight of 2-(Bromomethyl)-3-methylbuta-1,3-diene?
The molecular weight of 2-(Bromomethyl)-3-methylbuta-1,3-diene is 159.99 g/mol.
Where can I buy 2-(Bromomethyl)-3-methylbuta-1,3-diene?
You can request a quote for 2-(Bromomethyl)-3-methylbuta-1,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Bromomethyl)-3-methylbuta-1,3-diene?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bromomethyl)-3-methylbuta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.