乙二胺四溴邻苯二甲酸酯
TL;DR: 乙二胺四溴邻苯二甲酸酯 (CAS 7400-17-1) is a chemical compound with molecular formula C18H12Br8N2O8 and molecular weight 1015.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙二胺四溴邻苯二甲酸酯
ethane-1,2-diamine;bis(3,4,5,6-tetrabromophthalic acid)
Also Known As: Ethylenediamine tetrabromophthalate, Ethylenediamine di(tetrabromophthalic acid), C8H2Br4O4.1/2C2H8N2, Bis(tetrabromophthalic acid)ethylenediamine salt, C8-H2-Br4-O4.1/2C2-H8-N2
| Molecular Formula | C18H12Br8N2O8 |
|---|---|
| Molecular Weight | 1015.41 g/mol |
| LogP | 7.1698 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 1015.40607 |
| Heavy Atoms | 36 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 7400-17-1 |
|---|---|
| SMILES | C(CN)N.C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O)C(=O)O.C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O)C(=O)O |
| InChIKey | YBHJNOXBYJUFRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙二胺四溴邻苯二甲酸酯 (CAS 7400-17-1), with molecular formula C18H12Br8N2O8 and molecular weight 1015.41 g/mol. IUPAC: ethane-1,2-diamine;bis(3,4,5,6-tetrabromophthalic acid).
Chemical Property Profile of 乙二胺四溴邻苯二甲酸酯
Property Insights of 乙二胺四溴邻苯二甲酸酯
The XLogP value of 7.1698 indicates that 乙二胺四溴邻苯二甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.0 Ų indicates high polarity, suggesting 乙二胺四溴邻苯二甲酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 乙二胺四溴邻苯二甲酸酯 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 乙二胺四溴邻苯二甲酸酯?
The CAS number of 乙二胺四溴邻苯二甲酸酯 is 7400-17-1.
What is the molecular formula of 乙二胺四溴邻苯二甲酸酯?
The molecular formula of 乙二胺四溴邻苯二甲酸酯 is C18H12Br8N2O8.
What is the molecular weight of 乙二胺四溴邻苯二甲酸酯?
The molecular weight of 乙二胺四溴邻苯二甲酸酯 is 1015.41 g/mol.
Where can I buy 乙二胺四溴邻苯二甲酸酯?
You can request a quote for 乙二胺四溴邻苯二甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙二胺四溴邻苯二甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 乙二胺四溴邻苯二甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.