O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate
TL;DR: O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate (CAS 6291-29-8) is a chemical compound with molecular formula C13H10Cl2IO2PS and molecular weight 457.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dichloro-4-iodophenoxy)-methoxy-phenyl-sulfanylidene-λ5-phosphane
Also Known As: O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate, (2,5-dichloro-4-iodophenoxy)-methoxy-phenyl-sulfanylidene-, Phenylphosphonothioic acid O-(2,5-dichloro-4-iodophenyl) O-methyl ester, Phosphonothioic acid, phenyl-, O-(2,5-dichloro-4-iodophenyl) O-methyl ester, RefChem:1093542
| Molecular Formula | C13H10Cl2IO2PS |
|---|---|
| Molecular Weight | 457.86 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.85608 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 6291-29-8 |
|---|---|
| SMILES | COP(=S)(C1=CC=CC=C1)OC2=CC(=C(C=C2Cl)I)Cl |
| InChIKey | JLUQCOKCNNKESJ-UHFFFAOYSA-N |
Product Overview
O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate (CAS 6291-29-8), with molecular formula C13H10Cl2IO2PS and molecular weight 457.86 g/mol. IUPAC: (2,5-dichloro-4-iodophenoxy)-methoxy-phenyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate
Property Insights of O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate
The XLogP value of 7.0 indicates that O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate 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-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate 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-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate?
The CAS number of O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate is 6291-29-8.
What is the molecular formula of O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate?
The molecular formula of O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate is C13H10Cl2IO2PS.
What is the molecular weight of O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate?
The molecular weight of O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate is 457.86 g/mol.
Where can I buy O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate?
You can request a quote for O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(2,5-Dichloro-4-iodophenyl) O-methyl phenylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.