1-Benzyl-3-bromobenzene
TL;DR: 1-Benzyl-3-bromobenzene (CAS 27798-39-6) is a chemical compound with molecular formula C13H11Br and molecular weight 246.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-bromobenzene
Also Known As: 1-Benzyl-3-bromobenzene, Benzene, 1-bromo-3-(phenylmethyl)-, 3-Bromodiphenylmethane, 3-Benzylbromobenzene, p-Brom-diphenyl-methan
| Molecular Formula | C13H11Br |
|---|---|
| Molecular Weight | 246.00 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.00441 |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 27798-39-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC(=CC=C2)Br |
| InChIKey | KMBNQIVUWJLMIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-3-bromobenzene (CAS 27798-39-6), with molecular formula C13H11Br and molecular weight 246.00 g/mol. IUPAC: 1-benzyl-3-bromobenzene.
Chemical Property Profile of 1-Benzyl-3-bromobenzene
Property Insights of 1-Benzyl-3-bromobenzene
The XLogP value of 4.5 indicates that 1-Benzyl-3-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-3-bromobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-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
Frequently Asked Questions
What is the CAS number of 1-Benzyl-3-bromobenzene?
The CAS number of 1-Benzyl-3-bromobenzene is 27798-39-6.
What is the molecular formula of 1-Benzyl-3-bromobenzene?
The molecular formula of 1-Benzyl-3-bromobenzene is C13H11Br.
What is the molecular weight of 1-Benzyl-3-bromobenzene?
The molecular weight of 1-Benzyl-3-bromobenzene is 246.00 g/mol.
Where can I buy 1-Benzyl-3-bromobenzene?
You can request a quote for 1-Benzyl-3-bromobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-bromobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-bromobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.