Atibeprone

CAT: 0127-BUP03178-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03178-02Size:10 mg

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

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CAS Number

153420-96-3

Purity

=98%

Smiles

O=C1OC=2C=C(OCC3=NN=C(S3)C(C)C)C=CC2C(=C1C)C

Chemical Information

Atibeprone

Atibeprone is a small molecule drug. Atibeprone has a monoisotopic molecular weight of 330.1 Da.

CAS Number	153420-96-3
PubChem CID	179342
IUPAC Name	3,4-dimethyl-7-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]chromen-2-one
Molecular Formula	C17H18N2O3S
Molecular Weight	330.4
XLogP	3.3
Topological Polar Surface Area	89.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	494

SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=NN=C(S3)C(C)C)C

InChI

InChI=1S/C17H18N2O3S/c1-9(2)16-19-18-15(23-16)8-21-12-5-6-13-10(3)11(4)17(20)22-14(13)7-12/h5-7,9H,8H2,1-4H3

InChIKey

HQTNJPCZUQAYAB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 153420-96-3

CID: 179342

Formula: C17H18N2O3S

MW: 330.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.4
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	330.10381361
Monoisotopic Mass	330.10381361
Topological Polar Surface Area	89.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	494
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

Catalog	Name
MBS5814437	Atibeprone