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UPF 648

CAT: 0013-GTR19259949-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19259949-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
UPF-648 is a potent kynurenine 3-monooxygenase inhibitor. It also shows highly active at 1 uM (81 ± 10% KMO inhibition) .
CAS Number
213400-34-1
Purity
>98% (HPLC)
Solubility
Ethanol : ≥ 50 mg/mL (192.98 mM)
Molecular Formula
C11H8Cl2O3
Molecular Weight
259.09
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(1s,2s)-2-(3,4-Dichlorobenzoyl)cyclopropanecarboxylic Acid
CAS Number213400-34-1
PubChem CID9859947
IUPAC Nametrans-(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropane-1-carboxylic acid
Molecular FormulaC11H8Cl2O3
Molecular Weight259.08
XLogP2.5
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity318
SMILES
C1[C@@H]([C@H]1C(=O)O)C(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)/t6-,7-/m0/s1
InChIKey
ZBRKMOHDGFGXLN-BQBZGAKWSA-N
Chemical Structure
2D Structure
2D structure of (1s,2s)-2-(3,4-Dichlorobenzoyl)cyclopropanecarboxylic Acid
CAS: 213400-34-1
CID: 9859947
Formula: C11H8Cl2O3
MW: 259.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.08
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass257.9850495
Monoisotopic Mass257.9850495
Topological Polar Surface Area54.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity318
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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