Bragsin2

CAT: 1410-M26634-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1410-M26634-04Size:25 mg

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Description

Bragsin2 is a hydration-resistant cell penetrant, selective and non-competitive inhibitor of Afr guanine nucleotide exchange factor BRAG2.

CAS Number

342795-08-8

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

289.166

Molecular Formula

C11H6F3NO5

Notes

Research use only, not for human use.

Receptor

Antifungal

Chemical Information

Bragsin2

CAS Number	342795-08-8
PubChem CID	799794
IUPAC Name	6-methoxy-5-nitro-2-(trifluoromethyl)chromen-4-one
Molecular Formula	C11H6F3NO5
Molecular Weight	289.16
XLogP	2.2
Topological Polar Surface Area	81.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	456

SMILES

COC1=C(C2=C(C=C1)OC(=CC2=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H6F3NO5/c1-19-7-3-2-6-9(10(7)15(17)18)5(16)4-8(20-6)11(12,13)14/h2-4H,1H3

InChIKey

WJUILHMXVGFAIS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 342795-08-8

CID: 799794

Formula: C11H6F3NO5

MW: 289.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	289.16
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Exact Mass	289.01980678
Monoisotopic Mass	289.01980678
Topological Polar Surface Area	81.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	456
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes