1-Benzyl-4-bromobenzene
TL;DR: 1-Benzyl-4-bromobenzene (CAS 1159599-97-9) is a chemical compound with molecular formula C13H11Br and molecular weight 246.00441 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-4-bromobenzene
Also Known As: 1-benzyl-4-bromobenzene, 4-BROMODIPHENYLMETHANE, 1-benzyl-4-bromo-benzene, Benzyl-4-Bromobenzene, 4-Benzylphenyl bromide
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H11Br |
| Molecular Weight | 246.00441 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.00441 Da |
| Heavy Atoms | 14 |
| Complexity | 153.0 |
| SMILES | C1=CC=C(C=C1)CC2=CC=C(C=C2)Br |
| InChIKey | NNEOYCMCJMLRSD-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzyl-4-bromobenzene
Property Insights of 1-Benzyl-4-bromobenzene
The XLogP value of 4.8 indicates that 1-Benzyl-4-bromobenzene 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-Benzyl-4-bromobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-bromobenzene 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-Benzyl-4-bromobenzene?
The CAS number of 1-Benzyl-4-bromobenzene is 1159599-97-9.
What is the molecular formula of 1-Benzyl-4-bromobenzene?
The molecular formula of 1-Benzyl-4-bromobenzene is C13H11Br.
What is the molecular weight of 1-Benzyl-4-bromobenzene?
The molecular weight of 1-Benzyl-4-bromobenzene is 246.00441 g/mol.
Where can I buy 1-Benzyl-4-bromobenzene?
You can request a quote for 1-Benzyl-4-bromobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzyl-4-bromobenzene?
Yes, CoreyChem provides custom synthesis services for 1-Benzyl-4-bromobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.