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4-Acetamidophenyl acetate (Standard)

CAT: 0804-HY-66004R-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-66004R-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4-Acetamidophenyl acetate (Standard) is the analytical standard of 4-Acetamidophenyl acetate. This product is intended for research and analytical applications. 4-Acetamidophenyl acetate is an impurity of Acetaminophen (HY-66005). 4-Acetamidophenyl acetate acts as an intermediate in the synthesis of Acetaminophen. Acetaminophen is a selective COX-2 inhibitor (IC50=25.8 μM), and is a potent hepatic N-acetyltransferase 2 (NAT2) inhibitor[1][2][3].
CAS Number
2623-33-8
Product Name Alternative
Diacetamate (Standard)
UNSPSC
12352005
Target
Bacterial; Drug Intermediate; Parasite; Reference Standards
Type
Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Inflammation/Immunology; Cancer
Assay Protocol
https://www.medchemexpress.com/4-acetamidophenyl-acetate-standard.html
Smiles
O=C(NC1=CC=C(C=C1)OC(C)=O)C
Molecular Formula
C10H11NO3
Molecular Weight
193.20
References & Citations
[1]Hinz, B, et al. Acetaminophen (paracetamol) is a selective cyclooxygenase-2 inhibitor in man. FASEB J, 2008. 22 (2) : p. 383-90.|[2]Rothen JP, et al. Acetaminophen is an inhibitor of hepatic N-acetyltransferase 2 in vitro and in vivo. Pharmacogenetics. 1998 Dec;8 (6) :553-9.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards
Clinical Information
Launched

Chemical Information

Diacetamate

Diacetamate is a small molecule drug. Diacetamate has a monoisotopic molecular weight of 193.07 Da.

CAS Number2623-33-8
PubChem CID17499
IUPAC Name(4-acetamidophenyl) acetate
Molecular FormulaC10H11NO3
Molecular Weight193.20
XLogP0.8
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity219
SMILES
CC(=O)NC1=CC=C(C=C1)OC(=O)C
InChI
InChI=1S/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)
InChIKey
UJAOSPFULOFZRR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diacetamate
CAS: 2623-33-8
CID: 17499
Formula: C10H11NO3
MW: 193.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.20
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass193.07389321
Monoisotopic Mass193.07389321
Topological Polar Surface Area55.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity219
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19216037-014-Acetamidophenyl acetate
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