Bis(2,3-dibromosalicyl)fumarate
TL;DR: Bis(2,3-dibromosalicyl)fumarate (CAS 106044-07-9) is a chemical compound with molecular formula C18H8Br4O8 and molecular weight 667.69525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dibromo-2-[(E)-4-(2,3-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid
Also Known As: PN517 compound, 2,3-Fumaryl-diaspirin, Bis(2,3-dibromosalicyl)fumarate, 3,4-dibromo-2-[(E)-4-(2,3-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid
Technical Specifications
| Molecular Formula | C18H8Br4O8 |
| Molecular Weight | 667.69525 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 667.69525 Da |
| Heavy Atoms | 30 |
| Complexity | 656.0 |
| SMILES | C1=CC(=C(C(=C1C(=O)O)OC(=O)/C=C/C(=O)OC2=C(C=CC(=C2Br)Br)C(=O)O)Br)Br |
| InChIKey | PTADHGRSLBSSSY-AATRIKPKSA-N |
Product Description
Applications: Bis(2,3-dibromosalicyl)fumarate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Bis(2,3-dibromosalicyl)fumarate (CAS 106044-07-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Bis(2,3-dibromosalicyl)fumarate (CAS 106044-07-9) is a fine chemical with the molecular formula C18H8Br4O8 and a molecular weight of 667.7 g/mol. It is also known as PN517 compound and 2,3-Fumaryl-diaspirin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Bis(2,3-dibromosalicyl)fumarate
Property Insights of Bis(2,3-dibromosalicyl)fumarate
The XLogP value of 5.1 indicates that Bis(2,3-dibromosalicyl)fumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(2,3-dibromosalicyl)fumarate. Following Lipinski's Rule of Five, Bis(2,3-dibromosalicyl)fumarate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bis(2,3-dibromosalicyl)fumarate?
The CAS number of Bis(2,3-dibromosalicyl)fumarate is 106044-07-9.
What is the molecular formula of Bis(2,3-dibromosalicyl)fumarate?
The molecular formula of Bis(2,3-dibromosalicyl)fumarate is C18H8Br4O8.
What is the molecular weight of Bis(2,3-dibromosalicyl)fumarate?
The molecular weight of Bis(2,3-dibromosalicyl)fumarate is 667.69525 g/mol.
What are the applications of Bis(2,3-dibromosalicyl)fumarate?
Bis(2,3-dibromosalicyl)fumarate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Bis(2,3-dibromosalicyl)fumarate (CAS 106044-07-9) with custom synthesis available from milligram to multi-kilogram scale,...
Where can I buy Bis(2,3-dibromosalicyl)fumarate?
You can request a quote for Bis(2,3-dibromosalicyl)fumarate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(2,3-dibromosalicyl)fumarate?
Yes, CoreyChem provides custom synthesis services for Bis(2,3-dibromosalicyl)fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.