2,2',4,5,5'-Pentabromobiphenyl
TL;DR: 2,2',4,5,5'-Pentabromobiphenyl (CAS 67888-96-4) is a chemical compound with molecular formula C12H5Br5 and molecular weight 543.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-tribromo-5-(2,5-dibromophenyl)benzene
Also Known As: 2,2',4,5,5'-PENTABROMOBIPHENYL, Sodium4-formylbenzenesulfonate, PBB-No. 101, 1,1'-Biphenyl, 2,2',4,5,5'-pentabromo-, 1,2,4-tribromo-5-(2,5-dibromophenyl)benzene
| Molecular Formula | C12H5Br5 |
|---|---|
| Molecular Weight | 543.63 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 547.6267 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 67888-96-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)C2=CC(=C(C=C2Br)Br)Br)Br |
| InChIKey | OELBLPCWLAWABI-UHFFFAOYSA-N |
Product Overview
2,2',4,5,5'-Pentabromobiphenyl (CAS 67888-96-4), with molecular formula C12H5Br5 and molecular weight 543.63 g/mol. IUPAC: 1,2,4-tribromo-5-(2,5-dibromophenyl)benzene.
Chemical Property Profile of 2,2',4,5,5'-Pentabromobiphenyl
Property Insights of 2,2',4,5,5'-Pentabromobiphenyl
The XLogP value of 7.1 indicates that 2,2',4,5,5'-Pentabromobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2',4,5,5'-Pentabromobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',4,5,5'-Pentabromobiphenyl has 0 hydrogen bond donor(s) and 0 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',4,5,5'-Pentabromobiphenyl?
The CAS number of 2,2',4,5,5'-Pentabromobiphenyl is 67888-96-4.
What is the molecular formula of 2,2',4,5,5'-Pentabromobiphenyl?
The molecular formula of 2,2',4,5,5'-Pentabromobiphenyl is C12H5Br5.
What is the molecular weight of 2,2',4,5,5'-Pentabromobiphenyl?
The molecular weight of 2,2',4,5,5'-Pentabromobiphenyl is 543.63 g/mol.
Where can I buy 2,2',4,5,5'-Pentabromobiphenyl?
You can request a quote for 2,2',4,5,5'-Pentabromobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',4,5,5'-Pentabromobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2,2',4,5,5'-Pentabromobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.