甲基毒死蜱
TL;DR: 甲基毒死蜱 (CAS 5598-13-0) is a chemical compound with molecular formula C7H7Cl3NO3PS and molecular weight 320.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基毒死蜱
dimethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane
Also Known As: Chlorpyrifos-methyl, Reldan, Trichlormethylfos, Methyl dursban, Noltran
| Molecular Formula | C7H7Cl3NO3PS |
|---|---|
| Molecular Weight | 320.89 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.895 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
| Melting Point | 45.5-46.5 °C |
| Density | 1.64 at 23 °C |
| Solubility | In water, 4.0 mg/L at 25 °C |
| Flash Point | 182 °C (Cleveland open cup) |
| Vapor Pressure | 0.0000422 [mmHg] |
Chemical Identifiers
| CAS Number | 5598-13-0 |
|---|---|
| SMILES | COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl |
| InChIKey | HRBKVYFZANMGRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基毒死蜱 (CAS 5598-13-0), with molecular formula C7H7Cl3NO3PS and molecular weight 320.89 g/mol. IUPAC: dimethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane.
Chemical Property Profile of 甲基毒死蜱
Property Insights of 甲基毒死蜱
The XLogP value of 4.3 indicates that 甲基毒死蜱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲基毒死蜱. Following Lipinski's Rule of Five, 甲基毒死蜱 has 0 hydrogen bond donor(s) and 5 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 甲基毒死蜱?
The CAS number of 甲基毒死蜱 is 5598-13-0.
What is the molecular formula of 甲基毒死蜱?
The molecular formula of 甲基毒死蜱 is C7H7Cl3NO3PS.
What is the molecular weight of 甲基毒死蜱?
The molecular weight of 甲基毒死蜱 is 320.89 g/mol.
Where can I buy 甲基毒死蜱?
You can request a quote for 甲基毒死蜱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基毒死蜱?
Yes, KEHONG BIO provides custom synthesis services for 甲基毒死蜱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.