Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester
TL;DR: Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester (CAS 86889-56-7) is a chemical compound with molecular formula C13H9Cl4O2PS and molecular weight 399.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methoxy-phenyl-sulfanylidene-(2,3,5,6-tetrachlorophenoxy)-λ5-phosphane
Also Known As: Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester, methoxy-phenyl-sulfanylidene-(2,3,5,6-tetrachlorophenoxy)-, O-methyl O-(2,3,5,6-tetrachlorophenyl) phenylphosphonothioate
| Molecular Formula | C13H9Cl4O2PS |
|---|---|
| Molecular Weight | 399.88 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.8815 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 86889-56-7 |
|---|---|
| SMILES | COP(=S)(C1=CC=CC=C1)OC2=C(C(=CC(=C2Cl)Cl)Cl)Cl |
| InChIKey | YRYVWYZYZHUQKX-UHFFFAOYSA-N |
Product Overview
Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester (CAS 86889-56-7), with molecular formula C13H9Cl4O2PS and molecular weight 399.88 g/mol. IUPAC: methoxy-phenyl-sulfanylidene-(2,3,5,6-tetrachlorophenoxy)-λ5-phosphane.
Chemical Property Profile of Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester
Property Insights of Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester
The XLogP value of 6.9 indicates that Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester 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 Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester?
The CAS number of Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester is 86889-56-7.
What is the molecular formula of Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester?
The molecular formula of Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester is C13H9Cl4O2PS.
What is the molecular weight of Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester?
The molecular weight of Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester is 399.88 g/mol.
Where can I buy Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester?
You can request a quote for Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, phenyl-, O-methyl O-(2,3,5,6-tetrachlorophenyl)ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.