Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate structure

Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate

TL;DR: Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate (CAS 256332-86-2) is a chemical compound with molecular formula C15H28F3O6P and molecular weight 392.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

ethyl 2-dipentoxyphosphoryloxy-3,3,3-trifluoropropanoate

Also Known As: ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate, ethyl 2-dipentoxyphosphoryloxy-3,3,3-trifluoropropanoate, Ethyl 2-dipentoxyphosphoryloxy-3,3,3-trifluoro-propanoate, ethyl 2-[(dipentyloxyphosphoryl)oxy]-3,3,3-trifluoropropanoate

CAS: 256332-86-2
Molecular Formula C15H28F3O6P
Molecular Weight 392.16 g/mol
LogP 5.0187
Topological Polar Surface Area 71.06 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 14
Exact Mass 392.15756
Heavy Atoms 25
Complexity 400.5611

Chemical Identifiers

CAS Number 256332-86-2
SMILES CCCCCOP(=O)(OCCCCC)OC(C(=O)OCC)C(F)(F)F

Product Overview

Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate (CAS 256332-86-2), with molecular formula C15H28F3O6P and molecular weight 392.16 g/mol. IUPAC: ethyl 2-dipentoxyphosphoryloxy-3,3,3-trifluoropropanoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate

XLogP
5.0187
TPSA (Topological Polar Surface Area)
71.06
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
14
Heavy Atoms
25
Complexity
400.5611
Exact Mass
392.15756
Monoisotopic Mass
392.15756
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate

The XLogP value of 5.0187 indicates that Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate?

The CAS number of Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate is 256332-86-2.

What is the molecular formula of Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate?

The molecular formula of Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate is C15H28F3O6P.

What is the molecular weight of Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate?

The molecular weight of Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate is 392.16 g/mol.

Where can I buy Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate?

You can request a quote for Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate?

Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{[di(pentyloxy)phosphoryl]oxy}-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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