o-(2,5-Dichlorophenyl) o-ethyl methylphosphonothioate
TL;DR: o-(2,5-Dichlorophenyl) o-ethyl methylphosphonothioate (CAS 629-22-1) is a chemical compound with molecular formula C9H11Cl2O2PS and molecular weight 283.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dichlorophenoxy)-ethoxy-methyl-sulfanylidene-λ5-phosphane
Also Known As: o-(2,5-dichlorophenyl) o-ethyl methylphosphonothioate, (2,5-dichlorophenoxy)-ethoxy-methyl-sulfanylidene-, 5,8,8-Trimethyl-4-oxabicyclo(3.2.1)octan-3-one, 4-Oxabicyclo(3.2.1)octan-3-one, 5,8,8-trimethyl-, (2,5-dichlorophenoxy)-ethoxy-methyl-sulfanylidene-phosphorane
| Molecular Formula | C9H11Cl2O2PS |
|---|---|
| Molecular Weight | 283.96 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.95944 |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 629-22-1 |
|---|---|
| SMILES | CCOP(=S)(C)OC1=C(C=CC(=C1)Cl)Cl |
| InChIKey | COGHWXWZQGLXBD-UHFFFAOYSA-N |
Product Overview
o-(2,5-Dichlorophenyl) o-ethyl methylphosphonothioate (CAS 629-22-1), with molecular formula C9H11Cl2O2PS and molecular weight 283.96 g/mol. IUPAC: (2,5-dichlorophenoxy)-ethoxy-methyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of o-(2,5-Dichlorophenyl) o-ethyl methylphosphonothioate
Property Insights of o-(2,5-Dichlorophenyl) o-ethyl methylphosphonothioate
The XLogP value of 4.7 indicates that o-(2,5-Dichlorophenyl) o-ethyl methylphosphonothioate 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-Dichlorophenyl) o-ethyl methylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-(2,5-Dichlorophenyl) o-ethyl methylphosphonothioate has 0 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-(2,5-Dichlorophenyl) o-ethyl methylphosphonothioate?
The CAS number of o-(2,5-Dichlorophenyl) o-ethyl methylphosphonothioate is 629-22-1.
What is the molecular formula of o-(2,5-Dichlorophenyl) o-ethyl methylphosphonothioate?
The molecular formula of o-(2,5-Dichlorophenyl) o-ethyl methylphosphonothioate is C9H11Cl2O2PS.
What is the molecular weight of o-(2,5-Dichlorophenyl) o-ethyl methylphosphonothioate?
The molecular weight of o-(2,5-Dichlorophenyl) o-ethyl methylphosphonothioate is 283.96 g/mol.
Where can I buy o-(2,5-Dichlorophenyl) o-ethyl methylphosphonothioate?
You can request a quote for o-(2,5-Dichlorophenyl) o-ethyl methylphosphonothioate 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-Dichlorophenyl) o-ethyl methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for o-(2,5-Dichlorophenyl) o-ethyl methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.