Bis(3,5-dibromosalicyl)adipate
TL;DR: Bis(3,5-dibromosalicyl)adipate (CAS 75848-76-9) is a chemical compound with molecular formula C20H14Br4O8 and molecular weight 697.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-2-[6-(2,4-dibromo-6-carboxyphenoxy)-6-oxohexanoyl]oxybenzoic acid
Also Known As: Bis(3,5-dibromosalicyl)adipate, starbld0019560, 2,2'-(Adipoylbis(oxy))bis(3,5-dibromobenzoic acid), 3,5-dibromo-2-[6-(2,4-dibromo-6-carboxyphenoxy)-6-oxohexanoyl]oxybenzoic acid, Hexanedioic acid, bis(2,4-dibromo-6-carboxyphenyl) ester
| Molecular Formula | C20H14Br4O8 |
|---|---|
| Molecular Weight | 697.74 g/mol |
| LogP | 6.2044 |
| Topological Polar Surface Area | 127.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 697.74225 |
| Heavy Atoms | 32 |
| Complexity | 998.2548 |
Chemical Identifiers
| CAS Number | 75848-76-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C(=O)O)OC(=O)CCCCC(=O)OC2=C(C=C(C=C2Br)Br)C(=O)O)Br)Br |
Product Overview
Bis(3,5-dibromosalicyl)adipate (CAS 75848-76-9), with molecular formula C20H14Br4O8 and molecular weight 697.74 g/mol. IUPAC: 3,5-dibromo-2-[6-(2,4-dibromo-6-carboxyphenoxy)-6-oxohexanoyl]oxybenzoic acid.
Chemical Property Profile of Bis(3,5-dibromosalicyl)adipate
Property Insights of Bis(3,5-dibromosalicyl)adipate
The XLogP value of 6.2044 indicates that Bis(3,5-dibromosalicyl)adipate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(3,5-dibromosalicyl)adipate. Following Lipinski's Rule of Five, Bis(3,5-dibromosalicyl)adipate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(3,5-dibromosalicyl)adipate?
The CAS number of Bis(3,5-dibromosalicyl)adipate is 75848-76-9.
What is the molecular formula of Bis(3,5-dibromosalicyl)adipate?
The molecular formula of Bis(3,5-dibromosalicyl)adipate is C20H14Br4O8.
What is the molecular weight of Bis(3,5-dibromosalicyl)adipate?
The molecular weight of Bis(3,5-dibromosalicyl)adipate is 697.74 g/mol.
Where can I buy Bis(3,5-dibromosalicyl)adipate?
You can request a quote for Bis(3,5-dibromosalicyl)adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3,5-dibromosalicyl)adipate?
Yes, KEHONG BIO provides custom synthesis services for Bis(3,5-dibromosalicyl)adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.