Diethyl 1,2,2,2-tetrabromoethyl phosphate
TL;DR: Diethyl 1,2,2,2-tetrabromoethyl phosphate (CAS 53495-39-9) is a chemical compound with molecular formula C6H11Br4O4P and molecular weight 493.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1,2,2,2-tetrabromoethyl phosphate
Also Known As: Diethyl 1,2,2,2-tetrabromoethyl phosphate, Diaethyl tetrabromaethyl phosphate, Diaethyl tetrabromaethyl phosphate [German], 4-01-00-03155 (Beilstein Handbook Reference), Phosphoric acid, diethyl 1,2,2,2-tetrabromoethyl ester
| Molecular Formula | C6H11Br4O4P |
|---|---|
| Molecular Weight | 493.71 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.71286 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 53495-39-9 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC(C(Br)(Br)Br)Br |
| InChIKey | XSDXJVWICNJMGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 1,2,2,2-tetrabromoethyl phosphate (CAS 53495-39-9), with molecular formula C6H11Br4O4P and molecular weight 493.71 g/mol. IUPAC: diethyl 1,2,2,2-tetrabromoethyl phosphate.
Chemical Property Profile of Diethyl 1,2,2,2-tetrabromoethyl phosphate
Property Insights of Diethyl 1,2,2,2-tetrabromoethyl phosphate
The XLogP value of 3.5 indicates that Diethyl 1,2,2,2-tetrabromoethyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Diethyl 1,2,2,2-tetrabromoethyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 1,2,2,2-tetrabromoethyl phosphate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 1,2,2,2-tetrabromoethyl phosphate?
The CAS number of Diethyl 1,2,2,2-tetrabromoethyl phosphate is 53495-39-9.
What is the molecular formula of Diethyl 1,2,2,2-tetrabromoethyl phosphate?
The molecular formula of Diethyl 1,2,2,2-tetrabromoethyl phosphate is C6H11Br4O4P.
What is the molecular weight of Diethyl 1,2,2,2-tetrabromoethyl phosphate?
The molecular weight of Diethyl 1,2,2,2-tetrabromoethyl phosphate is 493.71 g/mol.
Where can I buy Diethyl 1,2,2,2-tetrabromoethyl phosphate?
You can request a quote for Diethyl 1,2,2,2-tetrabromoethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1,2,2,2-tetrabromoethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1,2,2,2-tetrabromoethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.