Isazofos
TL;DR: Isazofos (CAS 42509-80-8) is a chemical compound with molecular formula C9H17ClN3O3PS and molecular weight 313.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: Isazofos, ISAZOPHOS, Miral, Triumph, Brace
| Molecular Formula | C9H17ClN3O3PS |
|---|---|
| Molecular Weight | 313.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.0417 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
| Boiling Point | 170 °C at 760 mm Hg |
| Density | 1.22 @ 20 °C |
| Solubility | Miscible with methanol, chloroform, benzene, hexane |
| Vapor Pressure | 0.000087 [mmHg] |
Chemical Identifiers
| CAS Number | 42509-80-8 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C |
| InChIKey | XRHGWAGWAHHFLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isazofos (CAS 42509-80-8), with molecular formula C9H17ClN3O3PS and molecular weight 313.04 g/mol. IUPAC: (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Isazofos
Property Insights of Isazofos
The XLogP value of 3.9 indicates that Isazofos is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Isazofos. Following Lipinski's Rule of Five, Isazofos has 0 hydrogen bond donor(s) and 6 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 Isazofos?
The CAS number of Isazofos is 42509-80-8.
What is the molecular formula of Isazofos?
The molecular formula of Isazofos is C9H17ClN3O3PS.
What is the molecular weight of Isazofos?
The molecular weight of Isazofos is 313.04 g/mol.
Where can I buy Isazofos?
You can request a quote for Isazofos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isazofos?
Yes, KEHONG BIO provides custom synthesis services for Isazofos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.