Unifiram

CAT: 0607-BA6770-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6770-100Size:100 mg

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

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CAS Number

272786-64-8

Form

A solid

Molecular Formula

C13H15FN2O3S

Molecular Weight

298.33

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

Unifiram

a cognition-enhancing agent; structure in first source

CAS Number	272786-64-8
PubChem CID	9861054
IUPAC Name	2-(4-fluorophenyl)sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
Molecular Formula	C13H15FN2O3S
Molecular Weight	298.34
XLogP	0.6
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	482

SMILES

C1CC(=O)N2C1CN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C13H15FN2O3S/c14-10-1-4-12(5-2-10)20(18,19)15-7-8-16-11(9-15)3-6-13(16)17/h1-2,4-5,11H,3,6-9H2

InChIKey

SNRTZFZAFBIBJP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 272786-64-8

CID: 9861054

Formula: C13H15FN2O3S

MW: 298.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.34
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	298.07874168
Monoisotopic Mass	298.07874168
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	482
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
413860	Unifiram