2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate
TL;DR: 2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate (CAS 7076-53-1) is a chemical compound with molecular formula C7H13Cl2O5PS and molecular weight 309.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloroethenyl 2-ethylsulfinylethyl methyl phosphate
Also Known As: Nexion, Nexa fly trap, Nexa-Fly-Trap, Nexion 1378, Nexion [French, Dutch, Italian]
| Molecular Formula | C7H13Cl2O5PS |
|---|---|
| Molecular Weight | 309.96 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 309.95984 |
| Heavy Atoms | 16 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 7076-53-1 |
|---|---|
| SMILES | CCS(=O)CCOP(=O)(OC)OC=C(Cl)Cl |
| InChIKey | AACILMLPSLEQMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate (CAS 7076-53-1), with molecular formula C7H13Cl2O5PS and molecular weight 309.96 g/mol. IUPAC: 2,2-dichloroethenyl 2-ethylsulfinylethyl methyl phosphate.
Chemical Property Profile of 2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate
Property Insights of 2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate. Following Lipinski's Rule of Five, 2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate 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 2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate?
The CAS number of 2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate is 7076-53-1.
What is the molecular formula of 2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate?
The molecular formula of 2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate is C7H13Cl2O5PS.
What is the molecular weight of 2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate?
The molecular weight of 2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate is 309.96 g/mol.
Where can I buy 2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate?
You can request a quote for 2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloroethenyl 2-(ethylsulfinyl)ethyl methyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.