2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester
TL;DR: 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester (CAS 68091-86-1) is a chemical compound with molecular formula C16H2Br10O4 and molecular weight 1047.18 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) but-2-enedioate
Also Known As: Pentabromophenyl maleate, Bis(perbromophenyl) maleate, 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester, 2-Butenedioic acid (Z)-, bis(pentabromophenyl) ester, 2-Butenedioic acid (2E)-, bis(pentabromophenyl) ester
| Molecular Formula | C16H2Br10O4 |
|---|---|
| Molecular Weight | 1047.18 g/mol |
| LogP | 10.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 1057.1685 |
| Heavy Atoms | 30 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 68091-86-1 |
|---|---|
| SMILES | C(=CC(=O)OC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)C(=O)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br |
| InChIKey | DXPKDGZNZOIMJZ-UHFFFAOYSA-N |
Product Overview
2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester (CAS 68091-86-1), with molecular formula C16H2Br10O4 and molecular weight 1047.18 g/mol. IUPAC: bis(2,3,4,5,6-pentabromophenyl) but-2-enedioate.
Chemical Property Profile of 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester
Property Insights of 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester
The XLogP value of 10.2 indicates that 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester 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 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester?
The CAS number of 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester is 68091-86-1.
What is the molecular formula of 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester?
The molecular formula of 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester is C16H2Br10O4.
What is the molecular weight of 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester?
The molecular weight of 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester is 1047.18 g/mol.
Where can I buy 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester?
You can request a quote for 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.