Tribromoethylbenzene
TL;DR: Tribromoethylbenzene (CAS 36027-81-3) is a chemical compound with molecular formula C8H7Br3 and molecular weight 339.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-tribromoethylbenzene
Also Known As: Tribromoethylbenzene, (2,2,2-tribromoethyl)benzene, Benzene, tribromoethyl-, ar-Tribromoethylbenzene, 2,2,2-tribromoethylbenzene
| Molecular Formula | C8H7Br3 |
|---|---|
| Molecular Weight | 339.81 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 339.80978 |
| Heavy Atoms | 11 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 36027-81-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(Br)(Br)Br |
| InChIKey | BZQONKLQDOHILP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tribromoethylbenzene (CAS 36027-81-3), with molecular formula C8H7Br3 and molecular weight 339.81 g/mol. IUPAC: 2,2,2-tribromoethylbenzene.
Chemical Property Profile of Tribromoethylbenzene
Property Insights of Tribromoethylbenzene
The XLogP value of 4.6 indicates that Tribromoethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Tribromoethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tribromoethylbenzene 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 Tribromoethylbenzene?
The CAS number of Tribromoethylbenzene is 36027-81-3.
What is the molecular formula of Tribromoethylbenzene?
The molecular formula of Tribromoethylbenzene is C8H7Br3.
What is the molecular weight of Tribromoethylbenzene?
The molecular weight of Tribromoethylbenzene is 339.81 g/mol.
Where can I buy Tribromoethylbenzene?
You can request a quote for Tribromoethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tribromoethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for Tribromoethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.