BF 126

CAT: 0931-T30437-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T30437-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

666826-27-3

Target

Others

Related Pathways

Others

Bioactivity

BF 126 has potential applications in vivo imaging of tau pathology in Alzheimer's disease

Smiles

Cc1ccc(cc1)S(O)(=O)=O.CCN(CC)c1ccc(C=Cc2nc3ccccc3[nH]2)cc1 |w:21.21|

Molecular Formula

C26H29N3O3S

Molecular Weight

463.6

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

BF 126

CAS Number	666826-27-3
PubChem CID	10367144
IUPAC Name	4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-N,N-diethylaniline;4-methylbenzenesulfonic acid
Molecular Formula	C26H29N3O3S
Molecular Weight	463.6
Topological Polar Surface Area	94.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	562

SMILES

CCN(CC)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3N2.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C19H21N3.C7H8O3S/c1-3-22(4-2)16-12-9-15(10-13-16)11-14-19-20-17-7-5-6-8-18(17)21-19;1-6-2-4-7(5-3-6)11(8,9)10/h5-14H,3-4H2,1-2H3,(H,20,21);2-5H,1H3,(H,8,9,10)/b14-11+;

InChIKey

CCCFPXPTFYRLGJ-JHGYPSGKSA-N

Chemical Structure

2D Structure

CAS: 666826-27-3

CID: 10367144

Formula: C26H29N3O3S

MW: 463.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	463.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	463.19296297
Monoisotopic Mass	463.19296297
Topological Polar Surface Area	94.7 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	562
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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BF 126

Chemical Information

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