2,4,6-Tribromoanisole
TL;DR: 2,4,6-Tribromoanisole (CAS 607-99-8) is a chemical compound with molecular formula C7H5Br3O and molecular weight 341.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tribromo-2-methoxybenzene
Also Known As: 2,4,6-TRIBROMOANISOLE, 1,3,5-Tribromo-2-methoxybenzene, Tribromoanisole, TBA cpd, Anisole, 2,4,6-tribromo-
| Molecular Formula | C7H5Br3O |
|---|---|
| Molecular Weight | 341.79 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.787 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
| Melting Point | 88 °C |
| Boiling Point | 298 °C |
| Density | 2.491 g/cu cm at 25 °C |
| Solubility | Slightly soluble in ethanol; very soluble in acetone and benzene; soluble in carbon tetrachloride |
Chemical Identifiers
| CAS Number | 607-99-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Br)Br)Br |
| InChIKey | YXTRCOAFNXQTKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Tribromoanisole (CAS 607-99-8), with molecular formula C7H5Br3O and molecular weight 341.79 g/mol. IUPAC: 1,3,5-tribromo-2-methoxybenzene.
Chemical Property Profile of 2,4,6-Tribromoanisole
Property Insights of 2,4,6-Tribromoanisole
The XLogP value of 4.1 indicates that 2,4,6-Tribromoanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2,4,6-Tribromoanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Tribromoanisole 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 2,4,6-Tribromoanisole?
The CAS number of 2,4,6-Tribromoanisole is 607-99-8.
What is the molecular formula of 2,4,6-Tribromoanisole?
The molecular formula of 2,4,6-Tribromoanisole is C7H5Br3O.
What is the molecular weight of 2,4,6-Tribromoanisole?
The molecular weight of 2,4,6-Tribromoanisole is 341.79 g/mol.
Where can I buy 2,4,6-Tribromoanisole?
You can request a quote for 2,4,6-Tribromoanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Tribromoanisole?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tribromoanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.