2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium structure

2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

TL;DR: 2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium (CAS 58445-96-8) is a chemical compound with molecular formula C14H31NO7P+ and molecular weight 356.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

2-[(3-hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

Also Known As: 2-[(3-hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

CAS: 58445-96-8
Molecular Formula C14H31NO7P+
Molecular Weight 356.18 g/mol
LogP 1.3106
Topological Polar Surface Area 102.29 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 13
Exact Mass 356.1838
Heavy Atoms 23
Complexity 383.8123

Chemical Identifiers

CAS Number 58445-96-8
SMILES CCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O

Product Overview

2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium (CAS 58445-96-8), with molecular formula C14H31NO7P+ and molecular weight 356.18 g/mol. IUPAC: 2-[(3-hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium.

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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.
View MSDS →

Chemical Property Profile of 2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

XLogP
1.3106
TPSA (Topological Polar Surface Area)
102.29
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
13
Heavy Atoms
23
Complexity
383.8123
Exact Mass
356.1838
Monoisotopic Mass
356.1838
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 2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

The XLogP value of 1.3106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium. The TPSA of 102.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium. Following Lipinski's Rule of Five, 2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

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 2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium?

The CAS number of 2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium is 58445-96-8.

What is the molecular formula of 2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium?

The molecular formula of 2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium is C14H31NO7P+.

What is the molecular weight of 2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium?

The molecular weight of 2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium is 356.18 g/mol.

Where can I buy 2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium?

You can request a quote for 2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium?

Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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