PI3K-IN-31

CAT: 0607-BA8746-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8746-50Size:50 mg

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

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CAS Number

1359956-12-9

Form

A solid

Molecular Formula

C19H23F2N7O3

Molecular Weight

435.43

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

PI3K-IN-31

CAS Number	1359956-12-9
PubChem CID	89627797
IUPAC Name	2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
Molecular Formula	C19H23F2N7O3
Molecular Weight	435.4
XLogP	1.3
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Heavy Atom Count	31
Formal Charge	0
Complexity	555

SMILES

C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N(CCO)CCO

InChI

InChI=1S/C19H23F2N7O3/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26(5-9-29)6-10-30)23-18(25-19)27-7-11-31-12-8-27/h1-4,15,29-30H,5-12H2

InChIKey

DUFOKEKRNQSOSS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1359956-12-9

CID: 89627797

Formula: C19H23F2N7O3

MW: 435.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	435.4
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	435.18304395
Monoisotopic Mass	435.18304395
Topological Polar Surface Area	113 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	555
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