O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate
TL;DR: O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate (CAS 59299-45-5) is a chemical compound with molecular formula C8H9BrClO3PS and molecular weight 329.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-chlorophenoxy)-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
Also Known As: O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate, Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl ester, (4-bromo-2-chlorophenoxy)-ethoxy-hydroxy-sulfanylidene-, O-(4-Bromo-2-chlorophenyl) O-ethyl hydrogen phosphorothioate
| Molecular Formula | C8H9BrClO3PS |
|---|---|
| Molecular Weight | 329.89 g/mol |
| LogP | 3.7346 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.88818 |
| Heavy Atoms | 15 |
| Complexity | 401.4732 |
Chemical Identifiers
| CAS Number | 59299-45-5 |
|---|---|
| SMILES | CCOP(=S)(O)OC1=C(C=C(C=C1)Br)Cl |
Product Overview
O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate (CAS 59299-45-5), with molecular formula C8H9BrClO3PS and molecular weight 329.89 g/mol. IUPAC: (4-bromo-2-chlorophenoxy)-ethoxy-hydroxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate
Property Insights of O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate
The XLogP value of 3.7346 indicates that O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.69 Ų, O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate has 1 hydrogen bond donor(s) and 3 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 O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate?
The CAS number of O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate is 59299-45-5.
What is the molecular formula of O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate?
The molecular formula of O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate is C8H9BrClO3PS.
What is the molecular weight of O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate?
The molecular weight of O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate is 329.89 g/mol.
Where can I buy O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate?
You can request a quote for O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate 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-chlorophenyl) O-ethyl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-Bromo-2-chlorophenyl) O-ethyl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.