Bde 153
TL;DR: Bde 153 (CAS 68631-49-2) 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.
1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene
Also Known As: 2,2',4,4',5,5'-Hexabromodiphenyl ether, PBDE 153, BDE No 153 solution, BDE 153, PBDE No. 153
| 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 | 637.53625 |
| Heavy Atoms | 19 |
| Complexity | 276.0 |
| Melting Point | 157.6 °C |
Chemical Identifiers
| CAS Number | 68631-49-2 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Br)Br)Br)OC2=CC(=C(C=C2Br)Br)Br |
| InChIKey | RZXIRSKYBISPGF-UHFFFAOYSA-N |
Product Overview
Bde 153 (CAS 68631-49-2), with molecular formula C12H4Br6O and molecular weight 637.54 g/mol. IUPAC: 1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene.
Chemical Property Profile of Bde 153
Property Insights of Bde 153
The XLogP value of 7.6 indicates that Bde 153 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Bde 153 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bde 153 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 Bde 153?
The CAS number of Bde 153 is 68631-49-2.
What is the molecular formula of Bde 153?
The molecular formula of Bde 153 is C12H4Br6O.
What is the molecular weight of Bde 153?
The molecular weight of Bde 153 is 637.54 g/mol.
Where can I buy Bde 153?
You can request a quote for Bde 153 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bde 153?
Yes, KEHONG BIO provides custom synthesis services for Bde 153 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.