2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate
TL;DR: 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate (CAS 66229-12-7) is a chemical compound with molecular formula C11H15Cl2O4PS and molecular weight 343.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dichloro-4-methylsulfanylphenyl) diethyl phosphate
Also Known As: Chlorthiophos-Oxon, Chlorothiophos O-analog 2,5-isomer, 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate, (2,5-dichloro-4-methylsulfanylphenyl) diethyl phosphate, 2,5-Dichloro-4-(methylsulfanyl)phenyl diethyl phosphate
| Molecular Formula | C11H15Cl2O4PS |
|---|---|
| Molecular Weight | 343.98 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.98056 |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 66229-12-7 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC1=CC(=C(C=C1Cl)SC)Cl |
| InChIKey | ZYZAICVMEBZORH-UHFFFAOYSA-N |
Product Overview
2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate (CAS 66229-12-7), with molecular formula C11H15Cl2O4PS and molecular weight 343.98 g/mol. IUPAC: (2,5-dichloro-4-methylsulfanylphenyl) diethyl phosphate.
Chemical Property Profile of 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate
Property Insights of 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate
The XLogP value of 3.7 indicates that 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate. Following Lipinski's Rule of Five, 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate has 0 hydrogen bond donor(s) and 5 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 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate?
The CAS number of 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate is 66229-12-7.
What is the molecular formula of 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate?
The molecular formula of 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate is C11H15Cl2O4PS.
What is the molecular weight of 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate?
The molecular weight of 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate is 343.98 g/mol.
Where can I buy 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate?
You can request a quote for 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dichloro-4-(methylthio)phenyl diethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.