Diallyl tetrabromophthalate
TL;DR: Diallyl tetrabromophthalate (CAS 49693-09-6) is a chemical compound with molecular formula C14H10Br4O4 and molecular weight 557.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-enyl) 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
Also Known As: Diallyl tetrabromophthalate, XYREX RFR, DIALLYLTETRABROMOPHTHALATE, Diallyl 3,4,5,6-tetrabromophthalate, Diallyl 3,4,5,6-tetrabromophthalate #
| Molecular Formula | C14H10Br4O4 |
|---|---|
| Molecular Weight | 557.73 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 561.7272 |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 49693-09-6 |
|---|---|
| SMILES | C=CCOC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OCC=C |
| InChIKey | FZGLNDYBTGMDDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diallyl tetrabromophthalate (CAS 49693-09-6), with molecular formula C14H10Br4O4 and molecular weight 557.73 g/mol. IUPAC: bis(prop-2-enyl) 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate.
Chemical Property Profile of Diallyl tetrabromophthalate
Property Insights of Diallyl tetrabromophthalate
The XLogP value of 5.7 indicates that Diallyl tetrabromophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diallyl tetrabromophthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallyl tetrabromophthalate 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 Diallyl tetrabromophthalate?
The CAS number of Diallyl tetrabromophthalate is 49693-09-6.
What is the molecular formula of Diallyl tetrabromophthalate?
The molecular formula of Diallyl tetrabromophthalate is C14H10Br4O4.
What is the molecular weight of Diallyl tetrabromophthalate?
The molecular weight of Diallyl tetrabromophthalate is 557.73 g/mol.
Where can I buy Diallyl tetrabromophthalate?
You can request a quote for Diallyl tetrabromophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallyl tetrabromophthalate?
Yes, KEHONG BIO provides custom synthesis services for Diallyl tetrabromophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.