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3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide structure
Fine Chemical

3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide

TL;DR: 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide (CAS 357-76-6) is a chemical compound with molecular formula C16H22INOS and molecular weight 403.0467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(3-hydroxy-3-phenyl-3-thiophen-2-ylpropyl)-trimethylazanium iodide

Also Known As: DL-2-Amino-5-phosphonovaleric acid, (3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)trimethylammonium iodide, (3-hydroxy-3-phenyl-3-thiophen-2-ylpropyl)-trimethylazanium iodide, 3-hydroxy-n,n,n-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide, 2-Thiophenepropanaminium, gamma-hydroxy-N,N,N-trimethyl-gamma-phenyl-, iodide

CAS Number
357-76-6
Molecular Formula
C16H22INOS
Molecular Weight
403.0467 g/mol
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Technical Specifications

Molecular FormulaC16H22INOS
Molecular Weight403.0467 g/mol
XLogP0.08
Topological Polar Surface Area (TPSA)48.5 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors3
Rotatable Bonds5
Exact Mass403.0467 Da
Heavy Atoms20
Complexity283.0
SMILESC[N+](C)(C)CCC(C1=CC=CC=C1)(C2=CC=CS2)O.[I-]
InChIKeyWSJMOXGMNDDXMQ-UHFFFAOYSA-M

Product Description

Applications: 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

A fine chemical supplied by CoreyChem, 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide (CAS 357-76-6) has the molecular formula C16H22INOS and a molecular weight of 403.05 g/mol. Synonyms include DL-2-Amino-5-phosphonovaleric acid and (3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)trimethylammonium iodide.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide

XLogP
0.08
TPSA (Topological Polar Surface Area)
48.5
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
Rotatable Bonds
5
Heavy Atoms
20
Complexity
283.0
Exact Mass
403.0467
Monoisotopic Mass
403.0467
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 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide

The XLogP value of 0.08 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide. With a topological polar surface area (TPSA) of 48.5 Ų, 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide?

The CAS number of 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide is 357-76-6.

What is the molecular formula of 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide?

The molecular formula of 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide is C16H22INOS.

What is the molecular weight of 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide?

The molecular weight of 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide is 403.0467 g/mol.

What are the applications of 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide?

3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale),...

Where can I buy 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide?

You can request a quote for 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide?

Yes, CoreyChem provides custom synthesis services for 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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