Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate structure

Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate

TL;DR: Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate (CAS 94249-00-0) is a chemical compound with molecular formula C34H57NO5S and molecular weight 591.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate

Also Known As: EINECS 304-377-5, (2-((alpha-o-Tolylbenzyl)oxy)ethyl)dimethylammonium hexadecyl sulphate, [2-[(alpha-o-tolylbenzyl)oxy]ethyl]dimethylammonium hexadecyl sulphate, dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium; hexadecyl sulfate

CAS: 94249-00-0
Molecular Formula C34H57NO5S
Molecular Weight 591.40 g/mol
LogP 7.19002
Topological Polar Surface Area 80.1 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 22
Exact Mass 591.39575
Heavy Atoms 41
Complexity 981.6189

Chemical Identifiers

CAS Number 94249-00-0
SMILES CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC1=CC=CC=C1C(C2=CC=CC=C2)OCC[NH+](C)C

Product Overview

Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate (CAS 94249-00-0), with molecular formula C34H57NO5S and molecular weight 591.40 g/mol. IUPAC: dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate.

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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 Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate

XLogP
7.19002
TPSA (Topological Polar Surface Area)
80.1
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
Rotatable Bonds
22
Heavy Atoms
41
Complexity
981.6189
Exact Mass
591.39575
Monoisotopic Mass
591.39575
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 Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate

The XLogP value of 7.19002 indicates that Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate. Following Lipinski's Rule of Five, Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate has 1 hydrogen bond donor(s) and 5 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 Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate?

The CAS number of Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate is 94249-00-0.

What is the molecular formula of Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate?

The molecular formula of Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate is C34H57NO5S.

What is the molecular weight of Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate?

The molecular weight of Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate is 591.40 g/mol.

Where can I buy Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate?

You can request a quote for Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate?

Yes, KEHONG BIO provides custom synthesis services for Dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium;hexadecyl sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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