Danifos
TL;DR: Danifos (CAS 7173-84-4) is a chemical compound with molecular formula C11H16ClO3PS2 and molecular weight 326.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(diethoxyphosphorylsulfanylmethylsulfanyl)benzene
Also Known As: Danifos, Carbophenoxon, PTMD, PTMP, Carbophenothion oxon
| Molecular Formula | C11H16ClO3PS2 |
|---|---|
| Molecular Weight | 326.00 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 325.9967 |
| Heavy Atoms | 18 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 7173-84-4 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCSC1=CC=C(C=C1)Cl |
| InChIKey | ZSAZGCBSZUURAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Danifos (CAS 7173-84-4), with molecular formula C11H16ClO3PS2 and molecular weight 326.00 g/mol. IUPAC: 1-chloro-4-(diethoxyphosphorylsulfanylmethylsulfanyl)benzene.
Chemical Property Profile of Danifos
Property Insights of Danifos
The XLogP value of 3.6 indicates that Danifos 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 Danifos. Following Lipinski's Rule of Five, Danifos 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 Danifos?
The CAS number of Danifos is 7173-84-4.
What is the molecular formula of Danifos?
The molecular formula of Danifos is C11H16ClO3PS2.
What is the molecular weight of Danifos?
The molecular weight of Danifos is 326.00 g/mol.
Where can I buy Danifos?
You can request a quote for Danifos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Danifos?
Yes, KEHONG BIO provides custom synthesis services for Danifos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.