CB-103

CAT: 0127-BUP17541-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP17541-01Size:100 mg

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CAS Number

218457-67-1

Purity

=98%

Smiles

CC(C)(C)C1=CC=C(OC2=NC=C(N)C=C2)C=C1

Chemical Information

Cb-103

CB-103 is an organic molecular entity. It has a role as an inhibitor and an antineoplastic agent.

CAS Number	218457-67-1
PubChem CID	2735289
IUPAC Name	6-(4-tert-butylphenoxy)pyridin-3-amine
Molecular Formula	C15H18N2O
Molecular Weight	242.32
XLogP	3.7
Topological Polar Surface Area	48.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	254

SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)N

InChI

InChI=1S/C15H18N2O/c1-15(2,3)11-4-7-13(8-5-11)18-14-9-6-12(16)10-17-14/h4-10H,16H2,1-3H3

InChIKey

WHIWGRCYMQLLAO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 218457-67-1

CID: 2735289

Formula: C15H18N2O

MW: 242.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.32
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	242.141913202
Monoisotopic Mass	242.141913202
Topological Polar Surface Area	48.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	254
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