1-Bromo-4-(3-methylbutyl)benzene
TL;DR: 1-Bromo-4-(3-methylbutyl)benzene (CAS 103857-71-2) is a chemical compound with molecular formula C11H15Br and molecular weight 226.0357 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-4-(3-methylbutyl)benzene
Also Known As: 1-bromo-4-isopentyl-benzene, 1-bromo-4-(3-methylbutyl)benzene
Technical Specifications
| Molecular Formula | C11H15Br |
| Molecular Weight | 226.0357 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.0357 Da |
| Heavy Atoms | 12 |
| Complexity | 112.0 |
| SMILES | CC(C)CCC1=CC=C(C=C1)Br |
| InChIKey | CRKOOBBDUSAJFV-UHFFFAOYSA-N |
Chemical Property Profile of 1-Bromo-4-(3-methylbutyl)benzene
Property Insights of 1-Bromo-4-(3-methylbutyl)benzene
The XLogP value of 4.7 indicates that 1-Bromo-4-(3-methylbutyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-4-(3-methylbutyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-(3-methylbutyl)benzene 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-Bromo-4-(3-methylbutyl)benzene?
The CAS number of 1-Bromo-4-(3-methylbutyl)benzene is 103857-71-2.
What is the molecular formula of 1-Bromo-4-(3-methylbutyl)benzene?
The molecular formula of 1-Bromo-4-(3-methylbutyl)benzene is C11H15Br.
What is the molecular weight of 1-Bromo-4-(3-methylbutyl)benzene?
The molecular weight of 1-Bromo-4-(3-methylbutyl)benzene is 226.0357 g/mol.
Where can I buy 1-Bromo-4-(3-methylbutyl)benzene?
You can request a quote for 1-Bromo-4-(3-methylbutyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Bromo-4-(3-methylbutyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Bromo-4-(3-methylbutyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.