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Anti-infective agent 1

CAT: 0931-T60315-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60315-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2348-77-8
Target
Others, Parasite, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
Anti-infective agent 1 (compound 3a) serves as a potent and selective antiprotozoal and antimycobacterial compound, demonstrating antiparasitic efficacy against P. falciparum and T. brucei rhodesiense with IC50 values of 10.95 and 0.06 μM, respectively, and displaying antimycobacterial properties against Mycobacterium smegmatis with a minimum inhibitory concentration (MIC) of 8 μg/mL [1].
Smiles
O=C1C=C(C(=O)C2=CC=CC=C12)C1=CC=CC=C1
Molecular Formula
C16H10O2
Molecular Weight
234.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Phenyl-1,4-naphthoquinone
CAS Number2348-77-8
PubChem CID296675
IUPAC Name2-phenylnaphthalene-1,4-dione
Molecular FormulaC16H10O2
Molecular Weight234.25
XLogP3.5
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity388
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H10O2/c17-15-10-14(11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)15/h1-10H
InChIKey
CIDYIYSNDAJNGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenyl-1,4-naphthoquinone
CAS: 2348-77-8
CID: 296675
Formula: C16H10O2
MW: 234.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.25
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass234.068079557
Monoisotopic Mass234.068079557
Topological Polar Surface Area34.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity388
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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