N-Acetyl-S-(3-hydroxypropyl)cysteine

Base Information

• Chemical Name: N-Acetyl-S-(3-hydroxypropyl)cysteine
• CAS No.: 23127-40-4
• Molecular Formula: C8H15NO4S
• Molecular Weight: 221.277
• Hs Code.: 2930909090
• UNII: BFU3149V95
• DSSTox Substance ID: DTXSID30904325
• Nikkaji Number: J641.462A
• Wikidata: Q27274648
• NCI Thesaurus Code: C107144
• Metabolomics Workbench ID: 74854
• Mol file: 23127-40-4.mol

Synonyms:2-acetamido-3-(3'-hydroxypropylthio)propanoic acid;3-HMPA;3-hydroxypropylmercapturic acid;N-acetyl-S-(3-hydroxypropyl)cysteine;S-(3-hydroxypropyl)cysteine N-acetate

Chemical Property of N-Acetyl-S-(3-hydroxypropyl)cysteine

Chemical Property:

• Vapor Pressure: 7.91E-12mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 493.9 °C at 760 mmHg
• PKA: 3.32±0.10(Predicted)
• Flash Point: 252.5 °C
• PSA: 111.93000
• Density: 1.278 g/cm³
• LogP: 0.08220
• Storage Temp.: Refrigerator
• Solubility.: DMSO, Methanol, Water
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 221.07217913
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

N-Acetyl-S-(3-hydroxypropyl)cysteine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(CSCCCO)C(=O)O
• Isomeric SMILES: CC(=O)N[C@@H](CSCCCO)C(=O)O
• Uses: Identified as a main urinary metabolite of acrolein in rats. It was found to increase in the body after smoking Identified as a main urinary metabolite of acrolein in rats. It was found to increase in the body after smoking.

Technology Process of N-Acetyl-S-(3-hydroxypropyl)cysteine

There total 2 articles about N-Acetyl-S-(3-hydroxypropyl)cysteine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 63.0%

N-acetylcystein (616-91-1,7696-05-1) + 1-chloro-3-hydroxypropane (627-30-5) → S-(3-hydroxypropyl)-N-acetyl-L-cysteine (23127-40-4)

Guidance literature:

With sodium hydroxide; In methanol; for 18h; Heating;

DOI:10.1021/tx00046a005

Reference yield:

N-acetylcystein (616-91-1,7696-05-1) + 1-bromo-3-propanol (627-18-9) → S-(3-hydroxypropyl)-N-acetyl-L-cysteine (23127-40-4)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 12h;

DOI:10.1021/tx00046a010

Reference yield: 2.0%

S-(3-hydroxypropyl)-N-acetyl-L-cysteine (23127-40-4) → acrolein (107-02-8,25068-14-8)

Guidance literature:

at 37 ℃; for 0.5h; pH=8.0; Product distribution;

DOI:10.1021/tx00046a005

upstream raw materials:

N-acetylcystein

1-chloro-3-hydroxypropane

1-bromo-3-propanol

Downstream raw materials:

acrolein

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 23127-40-4 N-ACETYL-S-(3-HYDROXYPROPYL)CYSTEINE

Send

Send

Metric Ton KG G Pound L ML

Send

Send