Trichloronate
TL;DR: Trichloronate (CAS 327-98-0) is a chemical compound with molecular formula C10H12Cl3O2PS and molecular weight 331.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane
Also Known As: Trichloronat, TRICHLORONATE, Phytosol, Richloronate, Agrisil
| Molecular Formula | C10H12Cl3O2PS |
|---|---|
| Molecular Weight | 331.94 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.93613 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
| Boiling Point | 107.8 °C at 0.01 mmHg |
| Density | 1.365 at 20.0 °C |
| Solubility | IN WATER: 50 MG/L @ 20 °C; GREATER THAN 1.2 KG/KG DICHLOROMETHANE, PROPAN-2-OL |
| Vapor Pressure | 0.000015 [mmHg] |
| Refractive Index | 1.561 @ 22 °C |
Chemical Identifiers
| CAS Number | 327-98-0 |
|---|---|
| SMILES | CCOP(=S)(CC)OC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | ANIAQSUBRGXWLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trichloronate (CAS 327-98-0), with molecular formula C10H12Cl3O2PS and molecular weight 331.94 g/mol. IUPAC: ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane.
Chemical Property Profile of Trichloronate
Property Insights of Trichloronate
The XLogP value of 5.2 indicates that Trichloronate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Trichloronate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichloronate 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 Trichloronate?
The CAS number of Trichloronate is 327-98-0.
What is the molecular formula of Trichloronate?
The molecular formula of Trichloronate is C10H12Cl3O2PS.
What is the molecular weight of Trichloronate?
The molecular weight of Trichloronate is 331.94 g/mol.
Where can I buy Trichloronate?
You can request a quote for Trichloronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichloronate?
Yes, KEHONG BIO provides custom synthesis services for Trichloronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.