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Paracetamol-cysteine structure
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Paracetamol-cysteine

TL;DR: Paracetamol-cysteine (CAS 1331891-93-0) is a chemical compound with molecular formula C11H14N2O4S and molecular weight 270.0674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-2-aminopropanoic acid

Also Known As: paracetamol-cysteine, 3-(Cystein-S-yl)paracetamol, 3-Cysteinylacetaminophen, 3-(Cystein-S-yl)acetaminophen, 3-Cysteinylacetaminophen-d3

CAS Number
1331891-93-0
Molecular Formula
C11H14N2O4S
Molecular Weight
270.0674 g/mol
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Application Areas

Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.

Analytical Reagents (1 patents) Biotechnology (4 patents) Heterocyclic Building Blocks (3 patents) Organic Building Blocks (1 patents) Peptides & Amino Acids (3 patents)

Technical Specifications

Molecular FormulaC11H14N2O4S
Molecular Weight270.0674 g/mol
XLogP-2.3
Topological Polar Surface Area (TPSA)138.0 Ų
Hydrogen Bond Donors4
Hydrogen Bond Acceptors6
Rotatable Bonds5
Exact Mass270.0674 Da
Heavy Atoms18
Complexity313.0
SMILESCC(=O)NC1=CC(=C(C=C1)O)SC[C@@H](C(=O)O)N
InChIKeyLLHICPSCVFRWDT-QMMMGPOBSA-N

Chemical Property Profile of Paracetamol-cysteine

XLogP
-2.3
TPSA (Topological Polar Surface Area)
138.0
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
Rotatable Bonds
5
Heavy Atoms
18
Complexity
313.0
Exact Mass
270.0674
Monoisotopic Mass
270.0674
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 Paracetamol-cysteine

The XLogP value of -2.3 indicates that Paracetamol-cysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Paracetamol-cysteine. Following Lipinski's Rule of Five, Paracetamol-cysteine has 4 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 CAS number of Paracetamol-cysteine?

The CAS number of Paracetamol-cysteine is 1331891-93-0.

What is the molecular formula of Paracetamol-cysteine?

The molecular formula of Paracetamol-cysteine is C11H14N2O4S.

What is the molecular weight of Paracetamol-cysteine?

The molecular weight of Paracetamol-cysteine is 270.0674 g/mol.

Where can I buy Paracetamol-cysteine?

You can request a quote for Paracetamol-cysteine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Paracetamol-cysteine?

Yes, CoreyChem provides custom synthesis services for Paracetamol-cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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