Diethyl 5,5,5-trichloropentyl phosphate
TL;DR: Diethyl 5,5,5-trichloropentyl phosphate (CAS 682-70-2) is a chemical compound with molecular formula C9H18Cl3O4P and molecular weight 326.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5,5,5-trichloropentyl phosphate
Also Known As: Diethyl trichloropentyl phosphate, diethyl 5,5,5-trichloropentyl phosphate, diethyl 5,5,5-trichloropentylphosphate, diethyl (5,5,5-trichloropentyl) phosphate, Phosphoric acid, diethyl 5,5,5-trichloropentyl ester
| Molecular Formula | C9H18Cl3O4P |
|---|---|
| Molecular Weight | 326.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 326.00082 |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 682-70-2 |
|---|---|
| SMILES | CCOP(=O)(OCC)OCCCCC(Cl)(Cl)Cl |
| InChIKey | MKFXNOLLLTYMRD-UHFFFAOYSA-N |
Product Overview
Diethyl 5,5,5-trichloropentyl phosphate (CAS 682-70-2), with molecular formula C9H18Cl3O4P and molecular weight 326.00 g/mol. IUPAC: diethyl 5,5,5-trichloropentyl phosphate.
Chemical Property Profile of Diethyl 5,5,5-trichloropentyl phosphate
Property Insights of Diethyl 5,5,5-trichloropentyl phosphate
The XLogP value of 3.2 indicates that Diethyl 5,5,5-trichloropentyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Diethyl 5,5,5-trichloropentyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 5,5,5-trichloropentyl phosphate 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 Diethyl 5,5,5-trichloropentyl phosphate?
The CAS number of Diethyl 5,5,5-trichloropentyl phosphate is 682-70-2.
What is the molecular formula of Diethyl 5,5,5-trichloropentyl phosphate?
The molecular formula of Diethyl 5,5,5-trichloropentyl phosphate is C9H18Cl3O4P.
What is the molecular weight of Diethyl 5,5,5-trichloropentyl phosphate?
The molecular weight of Diethyl 5,5,5-trichloropentyl phosphate is 326.00 g/mol.
Where can I buy Diethyl 5,5,5-trichloropentyl phosphate?
You can request a quote for Diethyl 5,5,5-trichloropentyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 5,5,5-trichloropentyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5,5,5-trichloropentyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.