CH5132799 25mg

CAT: 0628-A11169-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A11169-25Size:25 mg

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

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CAS Number

1007207-67-1

Chemical Information

Izorlisib

CH5132799 has been used in trials studying the treatment of Solid Tumors.

CAS Number	1007207-67-1
PubChem CID	49784945
IUPAC Name	5-(7-methylsulfonyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
Molecular Formula	C15H19N7O3S
Molecular Weight	377.4
XLogP	-0.6
Topological Polar Surface Area	136
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	587

SMILES

CS(=O)(=O)N1CCC2=C(N=C(N=C21)N3CCOCC3)C4=CN=C(N=C4)N

InChI

InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18)

InChIKey

JEGHXKRHKHPBJD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1007207-67-1

CID: 49784945

Formula: C15H19N7O3S

MW: 377.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	377.4
XLogP3	-0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Exact Mass	377.12700867
Monoisotopic Mass	377.12700867
Topological Polar Surface Area	136 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	587
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
B2183-5.1	CH5132799