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CRANAD-28

CAT: 0013-GTR19155999-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155999-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CRANAD-28 can mark plaques and cerebral amyloid angiopathy. It is a blood-brain barrier (BBB) penetrating two-photon imaging probe.
CAS Number
1623747-97-6
Product Name Alternative
CRANAD 28 | CRANAD28
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 5 mg/mL (10.32 mM)
Smiles
[F-][B+3]1 (O=C (/C=C/C2=C (N (N=C2) C3=CC=CC=C3) C) [CH-]C (/C=C/C4=C (N (N=C4) C5=CC=CC=C5) C) =O1) [F-]
Molecular Formula
C27H23BF2N4O2
Molecular Weight
484.3
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Cranad-28
CAS Number1623747-97-6
PubChem CID137253367
IUPAC Name4-[(E)-2-[(6Z)-2,2-difluoro-6-[(2E)-2-(5-methyl-1-phenylpyrazol-1-ium-4-ylidene)ethylidene]-1,3-dioxa-2-boranuidacyclohex-4-en-4-yl]ethenyl]-5-methyl-1-phenylpyrazole
Molecular FormulaC27H23BF2N4O2
Molecular Weight484.3
Topological Polar Surface Area51.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity937
SMILES
[B-]1(OC(=C/C(=C/C=C/2\C=N[N+](=C2C)C3=CC=CC=C3)/O1)/C=C/C4=C(N(N=C4)C5=CC=CC=C5)C)(F)F
InChI
InChI=1S/C27H23BF2N4O2/c1-20-22(18-31-33(20)24-9-5-3-6-10-24)13-15-26-17-27(36-28(29,30)35-26)16-14-23-19-32-34(21(23)2)25-11-7-4-8-12-25/h3-19H,1-2H3
InChIKey
DDFFGVTUEQJYQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cranad-28
CAS: 1623747-97-6
CID: 137253367
Formula: C27H23BF2N4O2
MW: 484.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass484.1882125
Monoisotopic Mass484.1882125
Topological Polar Surface Area51.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity937
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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