Coumaphos
TL;DR: Coumaphos (CAS 56-72-4) is a chemical compound with molecular formula C14H16ClO5PS and molecular weight 362.01447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one
Also Known As: COUMAPHOS, Coumafos, Asuntol, Asunthol, Muscatox
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H16ClO5PS |
| Molecular Weight | 362.01447 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.01447 Da |
| Heavy Atoms | 22 |
| Complexity | 499.0 |
| Melting Point | 196 °F (EPA, 1998) |
| Boiling Point | 68 °F at 1e-07 mmHg (NTP, 1992) |
| Density | 1.31 at 77 °F (EPA, 1998) - Denser than water; will sink |
| Flash Point | Not Applicable. Combustible solid. (USCG, 1999) |
| Vapor Pressure | 1e-07 mmHg at 68 °F (EPA, 1998) |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| SMILES | CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C |
| InChIKey | BXNANOICGRISHX-UHFFFAOYSA-N |
Product Description
Applications: Coumaphos is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Coumaphos (CAS 56-72-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A agrochemical intermediate supplied by CoreyChem, Coumaphos (CAS 56-72-4) has the molecular formula C14H16ClO5PS and a molecular weight of 362.01 g/mol. Reported properties include a density of 1.31 at 77 °F (EPA, 1998) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 72 °F (NTP, 1992). It is also known as COUMAPHOS and Coumafos.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Coumaphos
Property Insights of Coumaphos
The XLogP value of 4.5 indicates that Coumaphos is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumaphos. Following Lipinski's Rule of Five, Coumaphos 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
What is the CAS number of Coumaphos?
The CAS number of Coumaphos is 56-72-4.
What is the molecular formula of Coumaphos?
The molecular formula of Coumaphos is C14H16ClO5PS.
What is the molecular weight of Coumaphos?
The molecular weight of Coumaphos is 362.01447 g/mol.
What are the applications of Coumaphos?
Coumaphos is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Coumaphos (CAS 56-72-4) with...
Where can I buy Coumaphos?
You can request a quote for Coumaphos directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Coumaphos?
Yes, CoreyChem provides custom synthesis services for Coumaphos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.