O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate
TL;DR: O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate (CAS 76929-75-4) is a chemical compound with molecular formula C14H11BrCl3O2PS and molecular weight 457.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2,5-dichlorophenoxy)-(4-chlorophenyl)-ethoxy-sulfanylidene-λ5-phosphane
Also Known As: O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate, (4-bromo-2,5-dichlorophenoxy)-(4-chlorophenyl)-ethoxy-sulfanylidene-, (4-bromo-2,5-dichloro-phenoxy)-(4-chlorophenyl)-ethoxy-sulfanylidene-phosphorane, Phosphonothioic acid, (4-chloophenyl)-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester
| Molecular Formula | C14H11BrCl3O2PS |
|---|---|
| Molecular Weight | 457.85 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.84662 |
| Heavy Atoms | 22 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 76929-75-4 |
|---|---|
| SMILES | CCOP(=S)(C1=CC=C(C=C1)Cl)OC2=CC(=C(C=C2Cl)Br)Cl |
| InChIKey | WKOYHYNEOCUMFO-UHFFFAOYSA-N |
Product Overview
O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate (CAS 76929-75-4), with molecular formula C14H11BrCl3O2PS and molecular weight 457.85 g/mol. IUPAC: (4-bromo-2,5-dichlorophenoxy)-(4-chlorophenyl)-ethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate
Property Insights of O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate
The XLogP value of 7.3 indicates that O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate?
The CAS number of O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate is 76929-75-4.
What is the molecular formula of O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate?
The molecular formula of O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate is C14H11BrCl3O2PS.
What is the molecular weight of O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate?
The molecular weight of O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate is 457.85 g/mol.
Where can I buy O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate?
You can request a quote for O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-Bromo-2,5-dichlorophenyl) O-ethyl (4-chlorophenyl)phosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.