Tolclofos-methyl
TL;DR: Tolclofos-methyl (CAS 57018-04-9) is a chemical compound with molecular formula C9H11Cl2O3PS and molecular weight 299.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Tolclofos-methyl, Rizolex, Risolex, Toclofos-methyl, Basilex
| Molecular Formula | C9H11Cl2O3PS |
|---|---|
| Molecular Weight | 299.95 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.95435 |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
| Melting Point | 79-79.5 °C |
| Solubility | In water, 1.10 mg/L at 15 °C |
| Flash Point | >100 °C (>100.0 °C) |
| Vapor Pressure | VP: 4.27X10-4 mm Hg at 20 °C |
Chemical Identifiers
| CAS Number | 57018-04-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl |
| InChIKey | OBZIQQJJIKNWNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tolclofos-methyl (CAS 57018-04-9), with molecular formula C9H11Cl2O3PS and molecular weight 299.95 g/mol. IUPAC: (2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Tolclofos-methyl
Property Insights of Tolclofos-methyl
The XLogP value of 4.7 indicates that Tolclofos-methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, Tolclofos-methyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tolclofos-methyl has 0 hydrogen bond donor(s) and 4 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 Tolclofos-methyl?
The CAS number of Tolclofos-methyl is 57018-04-9.
What is the molecular formula of Tolclofos-methyl?
The molecular formula of Tolclofos-methyl is C9H11Cl2O3PS.
What is the molecular weight of Tolclofos-methyl?
The molecular weight of Tolclofos-methyl is 299.95 g/mol.
Where can I buy Tolclofos-methyl?
You can request a quote for Tolclofos-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tolclofos-methyl?
Yes, KEHONG BIO provides custom synthesis services for Tolclofos-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.