Pyraclofos
TL;DR: Pyraclofos (CAS 89784-60-1) is a chemical compound with molecular formula C14H18ClN2O3PS and molecular weight 360.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-4-[ethoxy(propylsulfanyl)phosphoryl]oxypyrazole
Also Known As: Pyraclofos, Boltage, Voltage, starlet, Pyraclofos [ISO]
| Molecular Formula | C14H18ClN2O3PS |
|---|---|
| Molecular Weight | 360.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 360.04642 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 89784-60-1 |
|---|---|
| SMILES | CCCSP(=O)(OCC)OC1=CN(N=C1)C2=CC=C(C=C2)Cl |
| InChIKey | QHGVXILFMXYDRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyraclofos (CAS 89784-60-1), with molecular formula C14H18ClN2O3PS and molecular weight 360.05 g/mol. IUPAC: 1-(4-chlorophenyl)-4-[ethoxy(propylsulfanyl)phosphoryl]oxypyrazole.
Chemical Property Profile of Pyraclofos
Property Insights of Pyraclofos
The XLogP value of 3.8 indicates that Pyraclofos is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyraclofos. Following Lipinski's Rule of Five, Pyraclofos 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 Pyraclofos?
The CAS number of Pyraclofos is 89784-60-1.
What is the molecular formula of Pyraclofos?
The molecular formula of Pyraclofos is C14H18ClN2O3PS.
What is the molecular weight of Pyraclofos?
The molecular weight of Pyraclofos is 360.05 g/mol.
Where can I buy Pyraclofos?
You can request a quote for Pyraclofos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyraclofos?
Yes, KEHONG BIO provides custom synthesis services for Pyraclofos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.