GSK256073

CAT: 0607-BA5371-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5371-5Size:5 mg

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

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CAS Number

862892-90-8

Form

A solid

Molecular Formula

C10H13ClN4O2

Molecular Weight

256.69

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Gsk-256073

CAS Number	862892-90-8
PubChem CID	46215799
IUPAC Name	8-chloro-3-pentyl-7H-purine-2,6-dione
Molecular Formula	C10H13ClN4O2
Molecular Weight	256.69
XLogP	2.3
Topological Polar Surface Area	78.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	325

SMILES

CCCCCN1C2=C(C(=O)NC1=O)NC(=N2)Cl

InChI

InChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17)

InChIKey

CGAMDQCXAAOFSR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 862892-90-8

CID: 46215799

Formula: C10H13ClN4O2

MW: 256.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.69
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	256.0727034
Monoisotopic Mass	256.0727034
Topological Polar Surface Area	78.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	325
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