2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid)
TL;DR: 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid) (CAS 387828-71-9) is a chemical compound with molecular formula C18H8Br4O8 and molecular weight 667.70 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-2-[4-(2,4-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid
Also Known As: bis(3,5-dibromosalicyl)fumarate, (E)-2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid), 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid), (Z)-2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid), 2-Butenedioic acid (E)-, bis(2,4-dibromo-6-carboxyphenyl) ester
| Molecular Formula | C18H8Br4O8 |
|---|---|
| Molecular Weight | 667.70 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 667.69525 |
| Heavy Atoms | 30 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 387828-71-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C(=O)O)OC(=O)C=CC(=O)OC2=C(C=C(C=C2Br)Br)C(=O)O)Br)Br |
| InChIKey | INZBQWPDNWVYFR-UHFFFAOYSA-N |
Product Overview
2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid) (CAS 387828-71-9), with molecular formula C18H8Br4O8 and molecular weight 667.70 g/mol. IUPAC: 3,5-dibromo-2-[4-(2,4-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid.
Chemical Property Profile of 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid)
Property Insights of 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid)
The XLogP value of 5.1 indicates that 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid) 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 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid). Following Lipinski's Rule of Five, 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid) has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid)?
The CAS number of 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid) is 387828-71-9.
What is the molecular formula of 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid)?
The molecular formula of 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid) is C18H8Br4O8.
What is the molecular weight of 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid)?
The molecular weight of 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid) is 667.70 g/mol.
Where can I buy 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid)?
You can request a quote for 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.