敌百虫
TL;DR: 敌百虫 (CAS 52-68-6) is a chemical compound with molecular formula C4H8Cl3O4P and molecular weight 255.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
敌百虫
2,2,2-trichloro-1-dimethoxyphosphorylethanol
Also Known As: TRICHLORFON, Metrifonate, Chlorophos, Metriphonate, Trichlorphon
| Molecular Formula | C4H8Cl3O4P |
|---|---|
| Molecular Weight | 255.92 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.92258 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
| Melting Point | 181 to 83.9 °C |
| Boiling Point | 100.0 °C at 0.1 mmHg |
| Density | 1.73 at 20.0 °C |
| Solubility | 10 to 50 mg/mL at 70 °F (NTP, 1992) |
| Vapor Pressure | 7.8e-06 mmHg at 20.0 °C |
| Refractive Index | = 1.3439 at 20 °C |
Chemical Identifiers
| CAS Number | 52-68-6 |
|---|---|
| SMILES | COP(=O)(C(C(Cl)(Cl)Cl)O)OC |
| InChIKey | NFACJZMKEDPNKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
敌百虫 (CAS 52-68-6), with molecular formula C4H8Cl3O4P and molecular weight 255.92 g/mol. IUPAC: 2,2,2-trichloro-1-dimethoxyphosphorylethanol.
Chemical Property Profile of 敌百虫
Property Insights of 敌百虫
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 敌百虫. With a topological polar surface area (TPSA) of 55.8 Ų, 敌百虫 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 敌百虫 has 1 hydrogen bond donor(s) and 4 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 敌百虫?
The CAS number of 敌百虫 is 52-68-6.
What is the molecular formula of 敌百虫?
The molecular formula of 敌百虫 is C4H8Cl3O4P.
What is the molecular weight of 敌百虫?
The molecular weight of 敌百虫 is 255.92 g/mol.
Where can I buy 敌百虫?
You can request a quote for 敌百虫 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 敌百虫?
Yes, KEHONG BIO provides custom synthesis services for 敌百虫 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.