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Antifungal agent 113

CAT: 0013-GTR19239991-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239991-01Size:25 mg
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Description
Antifungalagent 113 (compound 9a) is a potent small-molecule agent demonstrating strong antifungal and antibacterial activity, including against S. aureus and MRSA. It is suitable for in vitro microbiological research and investigations into novel anti-infective mechanisms.
CAS Number
1373311-69-3
Field of Research
Infectious Disease & Virology
Smiles
O=C1OC (C2=CC=C (C=C2) C (C) C) (C3=CC=C (O) C (O) =C3O) C=4C=CC=CC14
Molecular Formula
C23H20O5
Molecular Weight
376.40
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(2,3,4-Trihydroxyphenyl)-3-(4-isopropylphenyl)phthalide
CAS Number1373311-69-3
PubChem CID71521951
IUPAC Name3-(4-propan-2-ylphenyl)-3-(2,3,4-trihydroxyphenyl)-2-benzofuran-1-one
Molecular FormulaC23H20O5
Molecular Weight376.4
XLogP4.6
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity569
SMILES
CC(C)C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(C(=C(C=C4)O)O)O
InChI
InChI=1S/C23H20O5/c1-13(2)14-7-9-15(10-8-14)23(18-11-12-19(24)21(26)20(18)25)17-6-4-3-5-16(17)22(27)28-23/h3-13,24-26H,1-2H3
InChIKey
GCNFYYVRDJMNGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2,3,4-Trihydroxyphenyl)-3-(4-isopropylphenyl)phthalide
CAS: 1373311-69-3
CID: 71521951
Formula: C23H20O5
MW: 376.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.4
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass376.13107373
Monoisotopic Mass376.13107373
Topological Polar Surface Area87 Ų
Heavy Atom Count28
Formal Charge0
Complexity569
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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