1,3-Butadiene, 2-(bromomethyl)-
TL;DR: 1,3-Butadiene, 2-(bromomethyl)- (CAS 23691-13-6) is a chemical compound with molecular formula C5H7Br and molecular weight 145.97311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(bromomethyl)buta-1,3-diene
Also Known As: 2-(bromomethyl)buta-1,3-diene, 1,3-Butadiene, 2-(bromomethyl)-, 2-(Bromomethyl)-1,3-butadiene, 2-bromomethyl-1,3-butadiene, 2- buta-1,3-diene
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H7Br |
| Molecular Weight | 145.97311 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.97311 Da |
| Heavy Atoms | 6 |
| Complexity | 64.0 |
| SMILES | C=CC(=C)CBr |
| InChIKey | KWEFLUDPRLSSTJ-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Butadiene, 2-(bromomethyl)-
Property Insights of 1,3-Butadiene, 2-(bromomethyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butadiene, 2-(bromomethyl)-. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Butadiene, 2-(bromomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butadiene, 2-(bromomethyl)- 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
What is the CAS number of 1,3-Butadiene, 2-(bromomethyl)-?
The CAS number of 1,3-Butadiene, 2-(bromomethyl)- is 23691-13-6.
What is the molecular formula of 1,3-Butadiene, 2-(bromomethyl)-?
The molecular formula of 1,3-Butadiene, 2-(bromomethyl)- is C5H7Br.
What is the molecular weight of 1,3-Butadiene, 2-(bromomethyl)-?
The molecular weight of 1,3-Butadiene, 2-(bromomethyl)- is 145.97311 g/mol.
Where can I buy 1,3-Butadiene, 2-(bromomethyl)-?
You can request a quote for 1,3-Butadiene, 2-(bromomethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Butadiene, 2-(bromomethyl)-?
Yes, CoreyChem provides custom synthesis services for 1,3-Butadiene, 2-(bromomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.