Bde 100
TL;DR: Bde 100 (CAS 189084-64-8) is a chemical compound with molecular formula C12H5Br5O and molecular weight 559.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene
Also Known As: BDE No 100 solution, PBDE 100, 2,2',4,4',6-pentabromodiphenyl ether, 1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene, BDE 100
| Molecular Formula | C12H5Br5O |
|---|---|
| Molecular Weight | 559.63 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 559.62573 |
| Heavy Atoms | 18 |
| Complexity | 265.0 |
| Melting Point | 97 - 98 °C |
Chemical Identifiers
| CAS Number | 189084-64-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2Br)Br)Br |
| InChIKey | NSKIRYMHNFTRLR-UHFFFAOYSA-N |
Product Overview
Bde 100 (CAS 189084-64-8), with molecular formula C12H5Br5O and molecular weight 559.63 g/mol. IUPAC: 1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene.
Chemical Property Profile of Bde 100
Property Insights of Bde 100
The XLogP value of 6.9 indicates that Bde 100 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 100 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bde 100 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 100?
The CAS number of Bde 100 is 189084-64-8.
What is the molecular formula of Bde 100?
The molecular formula of Bde 100 is C12H5Br5O.
What is the molecular weight of Bde 100?
The molecular weight of Bde 100 is 559.63 g/mol.
Where can I buy Bde 100?
You can request a quote for Bde 100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bde 100?
Yes, KEHONG BIO provides custom synthesis services for Bde 100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.