蝇毒磷
TL;DR: 蝇毒磷 (CAS 56-72-4) is a chemical compound with molecular formula C14H16ClO5PS and molecular weight 362.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蝇毒磷
3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one
Also Known As: COUMAPHOS, Coumafos, Asuntol, Asunthol, Muscatox
| Molecular Formula | C14H16ClO5PS |
|---|---|
| Molecular Weight | 362.01 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.01447 |
| Heavy Atoms | 22 |
| Complexity | 499.0 |
| Melting Point | 91.1 °C |
| Boiling Point | 20.0 °C at 1e-07 mmHg |
| Density | 1.31 at 25.0 °C |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | Not Applicable. Combustible solid. |
| Vapor Pressure | 1e-07 mmHg at 20.0 °C |
Chemical Identifiers
| CAS Number | 56-72-4 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C |
| InChIKey | BXNANOICGRISHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
蝇毒磷 (CAS 56-72-4), with molecular formula C14H16ClO5PS and molecular weight 362.01 g/mol. IUPAC: 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one.
Chemical Property Profile of 蝇毒磷
Property Insights of 蝇毒磷
The XLogP value of 4.5 indicates that 蝇毒磷 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 蝇毒磷. Following Lipinski's Rule of Five, 蝇毒磷 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 蝇毒磷?
The CAS number of 蝇毒磷 is 56-72-4.
What is the molecular formula of 蝇毒磷?
The molecular formula of 蝇毒磷 is C14H16ClO5PS.
What is the molecular weight of 蝇毒磷?
The molecular weight of 蝇毒磷 is 362.01 g/mol.
Where can I buy 蝇毒磷?
You can request a quote for 蝇毒磷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蝇毒磷?
Yes, KEHONG BIO provides custom synthesis services for 蝇毒磷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.