Tetrabromophthalate diol
TL;DR: Tetrabromophthalate diol (CAS 77098-07-8) is a chemical compound with molecular formula C15H20Br4O9 and molecular weight 659.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;3,4,5,6-tetrabromophthalic acid
Also Known As: Tetrabromophthalate diol, Tetrabromophthalic acid diester / TCPP, 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol, 2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;3,4,5,6-tetrabromophthalic acid, Tetrabromophthalic acid mixed esters with diethylene glycol and propylene glycol
| Molecular Formula | C15H20Br4O9 |
|---|---|
| Molecular Weight | 659.78 g/mol |
| LogP | 2.4801 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 659.78406 |
| Heavy Atoms | 28 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 77098-07-8 |
|---|---|
| SMILES | CC(CO)O.C(COCCO)O.C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O)C(=O)O |
| InChIKey | IMZKJXAYYSFTTK-UHFFFAOYSA-N |
Product Overview
Tetrabromophthalate diol (CAS 77098-07-8), with molecular formula C15H20Br4O9 and molecular weight 659.78 g/mol. IUPAC: 2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;3,4,5,6-tetrabromophthalic acid.
Chemical Property Profile of Tetrabromophthalate diol
Property Insights of Tetrabromophthalate diol
The XLogP value of 2.4801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrabromophthalate diol. The TPSA of 165.0 Ų indicates high polarity, suggesting Tetrabromophthalate diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetrabromophthalate diol has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetrabromophthalate diol?
The CAS number of Tetrabromophthalate diol is 77098-07-8.
What is the molecular formula of Tetrabromophthalate diol?
The molecular formula of Tetrabromophthalate diol is C15H20Br4O9.
What is the molecular weight of Tetrabromophthalate diol?
The molecular weight of Tetrabromophthalate diol is 659.78 g/mol.
Where can I buy Tetrabromophthalate diol?
You can request a quote for Tetrabromophthalate diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrabromophthalate diol?
Yes, KEHONG BIO provides custom synthesis services for Tetrabromophthalate diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.