1-(2-Bromoethoxy)-2,4,5-trichlorobenzene
TL;DR: 1-(2-Bromoethoxy)-2,4,5-trichlorobenzene (CAS 86944-31-2) is a chemical compound with molecular formula C8H6BrCl3O and molecular weight 301.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromoethoxy)-2,4,5-trichlorobenzene
Also Known As: 1-(2-bromoethoxy)-2,4,5-trichlorobenzene, 1-(2-Bromo-ethoxy)-2,4,5-trichloro-benzene, (2-bromo-ethyl)-(2,4,5-trichloro-phenyl)-ether, RefChem:223220
| Molecular Formula | C8H6BrCl3O |
|---|---|
| Molecular Weight | 301.87 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.86676 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 86944-31-2 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)OCCBr |
| InChIKey | BXTOIKSCRZBWFX-UHFFFAOYSA-N |
Product Overview
1-(2-Bromoethoxy)-2,4,5-trichlorobenzene (CAS 86944-31-2), with molecular formula C8H6BrCl3O and molecular weight 301.87 g/mol. IUPAC: 1-(2-bromoethoxy)-2,4,5-trichlorobenzene.
Chemical Property Profile of 1-(2-Bromoethoxy)-2,4,5-trichlorobenzene
Property Insights of 1-(2-Bromoethoxy)-2,4,5-trichlorobenzene
The XLogP value of 4.5 indicates that 1-(2-Bromoethoxy)-2,4,5-trichlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(2-Bromoethoxy)-2,4,5-trichlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Bromoethoxy)-2,4,5-trichlorobenzene has 0 hydrogen bond donor(s) and 1 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-(2-Bromoethoxy)-2,4,5-trichlorobenzene?
The CAS number of 1-(2-Bromoethoxy)-2,4,5-trichlorobenzene is 86944-31-2.
What is the molecular formula of 1-(2-Bromoethoxy)-2,4,5-trichlorobenzene?
The molecular formula of 1-(2-Bromoethoxy)-2,4,5-trichlorobenzene is C8H6BrCl3O.
What is the molecular weight of 1-(2-Bromoethoxy)-2,4,5-trichlorobenzene?
The molecular weight of 1-(2-Bromoethoxy)-2,4,5-trichlorobenzene is 301.87 g/mol.
Where can I buy 1-(2-Bromoethoxy)-2,4,5-trichlorobenzene?
You can request a quote for 1-(2-Bromoethoxy)-2,4,5-trichlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Bromoethoxy)-2,4,5-trichlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Bromoethoxy)-2,4,5-trichlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.