CDK8-IN-1 10mg

CAT: 0628-A12961-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A12961-10Size:10 mg

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

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CAS Number

1629633-48-2

Chemical Information

Cdk8-IN-1

CAS Number	1629633-48-2
PubChem CID	86274989
IUPAC Name	4-pyridin-4-yl-3-(trifluoromethyl)-1H-pyrrole-2-carboxamide
Molecular Formula	C11H8F3N3O
Molecular Weight	255.20
XLogP	1.4
Topological Polar Surface Area	71.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	315

SMILES

C1=CN=CC=C1C2=CNC(=C2C(F)(F)F)C(=O)N

InChI

InChI=1S/C11H8F3N3O/c12-11(13,14)8-7(5-17-9(8)10(15)18)6-1-3-16-4-2-6/h1-5,17H,(H2,15,18)

InChIKey

RKTPHHQXNCHBCF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1629633-48-2

CID: 86274989

Formula: C11H8F3N3O

MW: 255.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.20
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	255.06194637
Monoisotopic Mass	255.06194637
Topological Polar Surface Area	71.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	315
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

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