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5-NH2-Baicalein

CAT: 0804-HY-N11886Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N11886Size:1 Each
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Description
5-NH2-Baicalein is an aminated metabolite of Baicalein. 5-NH2-Baicalein can be used for research of ammonia and ammonia-associated chronic diseases[1].
CAS Number
2478604-99-6
UNSPSC
12352005
Target
Drug Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/5-nh2-baicalein.html
Solubility
10 mM in DMSO
Smiles
O=C1C=C(C2=CC=CC=C2)OC3=CC(O)=C(C(N)=C13)O
Molecular Formula
C15H11NO4
Molecular Weight
269.25
References & Citations
[1]Zhang S, et al. Metabolic Interaction between Ammonia and Baicalein. Chem Res Toxicol. 2020 Aug 17;33 (8) :2181-2188.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

5-NH2-Baicalein
CAS Number2478604-99-6
PubChem CID168510645
IUPAC Name5-amino-6,7-dihydroxy-2-phenylchromen-4-one
Molecular FormulaC15H11NO4
Molecular Weight269.25
XLogP2.3
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity416
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3N)O)O
InChI
InChI=1S/C15H11NO4/c16-14-13-9(17)6-11(8-4-2-1-3-5-8)20-12(13)7-10(18)15(14)19/h1-7,18-19H,16H2
InChIKey
CJAAFLWTKFOSGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-NH2-Baicalein
CAS: 2478604-99-6
CID: 168510645
Formula: C15H11NO4
MW: 269.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.25
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass269.06880783
Monoisotopic Mass269.06880783
Topological Polar Surface Area92.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity416
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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