Phosphonothioic acid, phenyl-, O-(3,4-dichlorophenyl) O-methyl ester
TL;DR: Phosphonothioic acid, phenyl-, O-(3,4-dichlorophenyl) O-methyl ester (CAS 71432-19-4) is a chemical compound with molecular formula C13H11Cl2O2PS and molecular weight 331.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-λ5-phosphane
Also Known As: O-(3,4-Dichlorophenyl) O-methyl phenyl thiophosphonate, Phosphonothioic acid, phenyl-, O-(3,4-dichlorophenyl) O-methyl ester, (3,4-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-, O-(3,4-Dichlorophenyl) O-methyl phenylphosphonothioate, RefChem:1095279
| Molecular Formula | C13H11Cl2O2PS |
|---|---|
| Molecular Weight | 331.96 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.95944 |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 71432-19-4 |
|---|---|
| SMILES | COP(=S)(C1=CC=CC=C1)OC2=CC(=C(C=C2)Cl)Cl |
| InChIKey | LEHCWSBYNOSDAD-UHFFFAOYSA-N |
Product Overview
Phosphonothioic acid, phenyl-, O-(3,4-dichlorophenyl) O-methyl ester (CAS 71432-19-4), with molecular formula C13H11Cl2O2PS and molecular weight 331.96 g/mol. IUPAC: (3,4-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonothioic acid, phenyl-, O-(3,4-dichlorophenyl) O-methyl ester
Property Insights of Phosphonothioic acid, phenyl-, O-(3,4-dichlorophenyl) O-methyl ester
The XLogP value of 5.6 indicates that Phosphonothioic acid, phenyl-, O-(3,4-dichlorophenyl) O-methyl 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-(3,4-dichlorophenyl) O-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonothioic acid, phenyl-, O-(3,4-dichlorophenyl) O-methyl 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-(3,4-dichlorophenyl) O-methyl ester?
The CAS number of Phosphonothioic acid, phenyl-, O-(3,4-dichlorophenyl) O-methyl ester is 71432-19-4.
What is the molecular formula of Phosphonothioic acid, phenyl-, O-(3,4-dichlorophenyl) O-methyl ester?
The molecular formula of Phosphonothioic acid, phenyl-, O-(3,4-dichlorophenyl) O-methyl ester is C13H11Cl2O2PS.
What is the molecular weight of Phosphonothioic acid, phenyl-, O-(3,4-dichlorophenyl) O-methyl ester?
The molecular weight of Phosphonothioic acid, phenyl-, O-(3,4-dichlorophenyl) O-methyl ester is 331.96 g/mol.
Where can I buy Phosphonothioic acid, phenyl-, O-(3,4-dichlorophenyl) O-methyl ester?
You can request a quote for Phosphonothioic acid, phenyl-, O-(3,4-dichlorophenyl) O-methyl 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-(3,4-dichlorophenyl) O-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, phenyl-, O-(3,4-dichlorophenyl) O-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.