ONC212

CAT: 0926-HXC86148-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-HXC86148-01Size:10 mg

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

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CAS Number

1807861-48-8

MDL Number

MFCD31619281

Smiles

C1CN (CC2=C1N3CCN=C3N (C2=O) CC4=CC=C (C=C4) C (F) (F) F) CC5=CC=CC=C5

Molecular Formula

C24H23F3N4O

Molecular Weight

440.46 g/mol

Controlled

Chemical Information

Onc212

CAS Number	1807861-48-8
PubChem CID	124085867
IUPAC Name	11-benzyl-7-[[4-(trifluoromethyl)phenyl]methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-8-one
Molecular Formula	C24H23F3N4O
Molecular Weight	440.5
XLogP	2.8
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	32
Formal Charge	0
Complexity	779

SMILES

C1CN(CC2=C1N3CCN=C3N(C2=O)CC4=CC=C(C=C4)C(F)(F)F)CC5=CC=CC=C5

InChI

InChI=1S/C24H23F3N4O/c25-24(26,27)19-8-6-18(7-9-19)15-31-22(32)20-16-29(14-17-4-2-1-3-5-17)12-10-21(20)30-13-11-28-23(30)31/h1-9H,10-16H2

InChIKey

DFULPGUTXZTYKA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1807861-48-8

CID: 124085867

Formula: C24H23F3N4O

MW: 440.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	440.5
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	440.18239586
Monoisotopic Mass	440.18239586
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	779
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
NQC17887-01	ONC206

Catalog	Name
BA2756-5	ONC212
A17056-10	ONC212 10mg