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BAS-118

CAT: 0013-GTR19249852-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249852-01Size:10 mg
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Description
BAS-118 is a benzamide-based antibacterial compound with potent activity against Helicobacter pylori, demonstrating an MIC range of ≤0.003-0.025 mg/L. This small molecule is a promising candidate for in vitro research into novel anti-H. pylori therapies and related antimicrobial mechanisms.
CAS Number
218936-13-1
Field of Research
Infectious Disease & Virology
Smiles
O=C (NC) C=1C=CC=C (C1) NC (=O) CC=2C=CC=3C=CC=CC3C2
Molecular Formula
C20H18N2O2
Molecular Weight
318.369
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bas-118
CAS Number218936-13-1
PubChem CID9883483
IUPAC NameN-methyl-3-[(2-naphthalen-2-ylacetyl)amino]benzamide
Molecular FormulaC20H18N2O2
Molecular Weight318.4
XLogP3.2
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity451
SMILES
CNC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C20H18N2O2/c1-21-20(24)17-7-4-8-18(13-17)22-19(23)12-14-9-10-15-5-2-3-6-16(15)11-14/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23)
InChIKey
VQVCFYIDCWPSNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bas-118
CAS: 218936-13-1
CID: 9883483
Formula: C20H18N2O2
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass318.136827821
Monoisotopic Mass318.136827821
Topological Polar Surface Area58.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity451
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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