Bis(pentabromophenyl) benzene-1,2-dicarboxylate
TL;DR: Bis(pentabromophenyl) benzene-1,2-dicarboxylate (CAS 57212-63-2) is a chemical compound with molecular formula C20H4Br10O4 and molecular weight 1097.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,3,4,5,6-pentabromophenyl) benzene-1,2-dicarboxylate
Also Known As: Bis(pentabromophenyl) terephthalate, bis(pentabromophenyl) benzene-1,2-dicarboxylate, bis(2,3,4,5,6-pentabromophenyl) benzene-1,2-dicarboxylate, 1,4-Benzenedicarboxylicacid, 1,4-bis(2,3,4,5,6-pentabromophenyl) ester, EINECS 260-624-6
| Molecular Formula | C20H4Br10O4 |
|---|---|
| Molecular Weight | 1097.19 g/mol |
| LogP | 11.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 1107.1841 |
| Heavy Atoms | 34 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 57212-63-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br)C(=O)OC3=C(C(=C(C(=C3Br)Br)Br)Br)Br |
| InChIKey | QAGNXLQPOCMCSX-UHFFFAOYSA-N |
Product Overview
Bis(pentabromophenyl) benzene-1,2-dicarboxylate (CAS 57212-63-2), with molecular formula C20H4Br10O4 and molecular weight 1097.19 g/mol. IUPAC: bis(2,3,4,5,6-pentabromophenyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of Bis(pentabromophenyl) benzene-1,2-dicarboxylate
Property Insights of Bis(pentabromophenyl) benzene-1,2-dicarboxylate
The XLogP value of 11.7 indicates that Bis(pentabromophenyl) benzene-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(pentabromophenyl) benzene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(pentabromophenyl) benzene-1,2-dicarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(pentabromophenyl) benzene-1,2-dicarboxylate?
The CAS number of Bis(pentabromophenyl) benzene-1,2-dicarboxylate is 57212-63-2.
What is the molecular formula of Bis(pentabromophenyl) benzene-1,2-dicarboxylate?
The molecular formula of Bis(pentabromophenyl) benzene-1,2-dicarboxylate is C20H4Br10O4.
What is the molecular weight of Bis(pentabromophenyl) benzene-1,2-dicarboxylate?
The molecular weight of Bis(pentabromophenyl) benzene-1,2-dicarboxylate is 1097.19 g/mol.
Where can I buy Bis(pentabromophenyl) benzene-1,2-dicarboxylate?
You can request a quote for Bis(pentabromophenyl) benzene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(pentabromophenyl) benzene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Bis(pentabromophenyl) benzene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.