Alectinib Impurity 27

CAT: 1299-RM-A329027-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A329027-01Size:10 mg

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

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CAS Number

2412921-44-7

Synonyms

Tert-butyl 6-cyano-2- (2- (4-ethylphenyl) propan-2-yl) -1H-indole-3-carboxylate

Molecular Formula

C25H28N2O2

Molecular Weight

388.51

Target Alternative Name

Alectinib

Product Name Synonym

Tert-butyl 6-cyano-2- (2- (4-ethylphenyl) propan-2-yl) -1H-indole-3-carboxylate

Chemical Information

tert-butyl 6-cyano-2-[2-(4-ethylphenyl)propan-2-yl]-1H-indole-3-carboxylate

CAS Number	2412921-44-7
PubChem CID	166648564
IUPAC Name	tert-butyl 6-cyano-2-[2-(4-ethylphenyl)propan-2-yl]-1H-indole-3-carboxylate
Molecular Formula	C25H28N2O2
Molecular Weight	388.5
XLogP	6.2
Topological Polar Surface Area	65.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	633

SMILES

CCC1=CC=C(C=C1)C(C)(C)C2=C(C3=C(N2)C=C(C=C3)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H28N2O2/c1-7-16-8-11-18(12-9-16)25(5,6)22-21(23(28)29-24(2,3)4)19-13-10-17(15-26)14-20(19)27-22/h8-14,27H,7H2,1-6H3

InChIKey

CEOOHLIVXFDFHZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2412921-44-7

CID: 166648564

Formula: C25H28N2O2

MW: 388.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.5
XLogP3	6.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	388.215078140
Monoisotopic Mass	388.215078140
Topological Polar Surface Area	65.9 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	633
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