1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate
TL;DR: 1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate (CAS 161143-68-6) 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.
3,5-dibromo-2-[(E)-4-(2,4-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid
Also Known As: bis(3,5-dibromosalicyl)fumarate, Bis(3,5-dibromosalicyl) fumarate, DBSF, Bis (3,5-dibromosalicyl)fumarate, 3,5-Dibromosalicyl-bis-fumarate
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=C(C=C(C(=C1C(=O)O)OC(=O)/C=C/C(=O)OC2=C(C=C(C=C2Br)Br)C(=O)O)Br)Br |
| InChIKey | INZBQWPDNWVYFR-OWOJBTEDSA-N |
Chemical Property Profile of 1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate
Property Insights of 1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate
The XLogP value of 5.1 indicates that 1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate 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 1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate. Following Lipinski's Rule of Five, 1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate 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 1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate?
The CAS number of 1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate is 161143-68-6.
What is the molecular formula of 1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate?
The molecular formula of 1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate is C18H8Br4O8.
What is the molecular weight of 1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate?
The molecular weight of 1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate is 667.69525 g/mol.
Where can I buy 1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate?
You can request a quote for 1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate?
Yes, CoreyChem provides custom synthesis services for 1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.