2,2',3,4',5,6'-六溴二苯醚
TL;DR: 2,2',3,4',5,6'-六溴二苯醚 (CAS 446255-03-4) is a chemical compound with molecular formula C12H4Br6O and molecular weight 637.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2',3,4',5,6'-六溴二苯醚
1,2,5-tribromo-3-(2,4,6-tribromophenoxy)benzene
Also Known As: Hexabromodiphenyl ethers, Hexabromophenoxybenzene, Hexabromodiphenyl oxide, PBDE 148, HEXABROMODIPHENYL ETHER
| Molecular Formula | C12H4Br6O |
|---|---|
| Molecular Weight | 637.54 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 643.5301 |
| Heavy Atoms | 19 |
| Complexity | 292.0 |
| Melting Point | 148 - 151 °C |
| Solubility | 4.08e-06 mg/mL |
Chemical Identifiers
| CAS Number | 446255-03-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1OC2=C(C=C(C=C2Br)Br)Br)Br)Br)Br |
| InChIKey | OJMHGSMSQZEBFH-UHFFFAOYSA-N |
Product Overview
2,2',3,4',5,6'-六溴二苯醚 (CAS 446255-03-4), with molecular formula C12H4Br6O and molecular weight 637.54 g/mol. IUPAC: 1,2,5-tribromo-3-(2,4,6-tribromophenoxy)benzene.
Chemical Property Profile of 2,2',3,4',5,6'-六溴二苯醚
Property Insights of 2,2',3,4',5,6'-六溴二苯醚
The XLogP value of 7.6 indicates that 2,2',3,4',5,6'-六溴二苯醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2,2',3,4',5,6'-六溴二苯醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',3,4',5,6'-六溴二苯醚 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2',3,4',5,6'-六溴二苯醚?
The CAS number of 2,2',3,4',5,6'-六溴二苯醚 is 446255-03-4.
What is the molecular formula of 2,2',3,4',5,6'-六溴二苯醚?
The molecular formula of 2,2',3,4',5,6'-六溴二苯醚 is C12H4Br6O.
What is the molecular weight of 2,2',3,4',5,6'-六溴二苯醚?
The molecular weight of 2,2',3,4',5,6'-六溴二苯醚 is 637.54 g/mol.
Where can I buy 2,2',3,4',5,6'-六溴二苯醚?
You can request a quote for 2,2',3,4',5,6'-六溴二苯醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',3,4',5,6'-六溴二苯醚?
Yes, KEHONG BIO provides custom synthesis services for 2,2',3,4',5,6'-六溴二苯醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.