O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate
TL;DR: O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate (CAS 7144-54-9) is a chemical compound with molecular formula C17H18Cl4N3OPS and molecular weight 482.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-chlorophenyl)piperazin-1-yl]-(2,4,5-trichlorophenoxy)phosphinothioyl]methanamine
Also Known As: O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate, N-[[4-(4-chlorophenyl)piperazin-1-yl]-(2,4,5-trichlorophenox, N-[[4-(4-chlorophenyl)piperazin-1-yl]-(2,4,5-trichlorophenoxy)phosphinothioyl]methanamine, O-(2,4,5-TRICHLOROPHENYL) P-(4-(4-CHLOROPHENYL)-(PIPERAZIN-1-YL))-N-METHYLPHOSPHONAMIDOTHIOATE, Phosphonamidothioic acid, P-[4-(p-chlorophenyl)-1-piperazinyl]-N-methyl-, O-(2,4,5-trichlorophenyl) ester
| Molecular Formula | C17H18Cl4N3OPS |
|---|---|
| Molecular Weight | 482.97 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.96622 |
| Heavy Atoms | 27 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 7144-54-9 |
|---|---|
| SMILES | CNP(=S)(N1CCN(CC1)C2=CC=C(C=C2)Cl)OC3=CC(=C(C=C3Cl)Cl)Cl |
| InChIKey | JJTYCQVEJBLOER-UHFFFAOYSA-N |
Product Overview
O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate (CAS 7144-54-9), with molecular formula C17H18Cl4N3OPS and molecular weight 482.97 g/mol. IUPAC: N-[[4-(4-chlorophenyl)piperazin-1-yl]-(2,4,5-trichlorophenoxy)phosphinothioyl]methanamine.
Chemical Property Profile of O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate
Property Insights of O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate
The XLogP value of 7.1 indicates that O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate?
The CAS number of O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate is 7144-54-9.
What is the molecular formula of O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate?
The molecular formula of O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate is C17H18Cl4N3OPS.
What is the molecular weight of O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate?
The molecular weight of O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate is 482.97 g/mol.
Where can I buy O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate?
You can request a quote for O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(2,4,5-Trichlorophenyl) P-(4-(4-chlorophenyl)-1-piperazinyl)-N-methylphosphonamidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.