Phosphoric acid, diethyl 2,2,2-trichloroethyl ester
TL;DR: Phosphoric acid, diethyl 2,2,2-trichloroethyl ester (CAS 682-35-9) is a chemical compound with molecular formula C6H12Cl3O4P and molecular weight 283.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2,2-trichloroethyl phosphate
Also Known As: Diethyl trichloroethyl phosphate, diethyl 2,2,2-trichloroethyl phosphate, Phosphoric acid, diethyl 2,2,2-trichloroethyl ester, Phosphoric acid diethyl 2,2,2-trichloroethyl ester, RefChem:1095393
| Molecular Formula | C6H12Cl3O4P |
|---|---|
| Molecular Weight | 283.95 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.9539 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 682-35-9 |
|---|---|
| SMILES | CCOP(=O)(OCC)OCC(Cl)(Cl)Cl |
| InChIKey | GVRDIFFWBUTPQL-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, diethyl 2,2,2-trichloroethyl ester (CAS 682-35-9), with molecular formula C6H12Cl3O4P and molecular weight 283.95 g/mol. IUPAC: diethyl 2,2,2-trichloroethyl phosphate.
Chemical Property Profile of Phosphoric acid, diethyl 2,2,2-trichloroethyl ester
Property Insights of Phosphoric acid, diethyl 2,2,2-trichloroethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, diethyl 2,2,2-trichloroethyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, Phosphoric acid, diethyl 2,2,2-trichloroethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, diethyl 2,2,2-trichloroethyl ester has 0 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 Phosphoric acid, diethyl 2,2,2-trichloroethyl ester?
The CAS number of Phosphoric acid, diethyl 2,2,2-trichloroethyl ester is 682-35-9.
What is the molecular formula of Phosphoric acid, diethyl 2,2,2-trichloroethyl ester?
The molecular formula of Phosphoric acid, diethyl 2,2,2-trichloroethyl ester is C6H12Cl3O4P.
What is the molecular weight of Phosphoric acid, diethyl 2,2,2-trichloroethyl ester?
The molecular weight of Phosphoric acid, diethyl 2,2,2-trichloroethyl ester is 283.95 g/mol.
Where can I buy Phosphoric acid, diethyl 2,2,2-trichloroethyl ester?
You can request a quote for Phosphoric acid, diethyl 2,2,2-trichloroethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, diethyl 2,2,2-trichloroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, diethyl 2,2,2-trichloroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.