Alectinib Hydrochloride

Name: Alectinib Hydrochloride
SKU: PI1256589748
Rating: 5 (1 reviews)

Catalog NumberPI1256589748

CAS Number1256589-74-8

CategoryAntineoplastics Intermediates

Product Details

Synonyms	9-Ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[B]carbazole-3-carbonitrile,hydrochloride
Purity	98%
Molecular Formula	C30H35ClN4O2
Molecular Weight	519.08
Molar Refractivity	156.59

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Other Identifiers

Pubchem ID	53239799
InChI Key	GYABBVHSRIHYJR-UHFFFAOYSA-N
MDL Number	MFCD27987893

Computed Properties

Aromatic Heavy Atoms Number	15
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	3.88
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Egan	0.0
Fraction Csp3	0.47
Ghose	None
GI Absorption	High
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	2.0
Lipinski	1.0
Log Kp (Skin Permeation)	-5.17 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	2.58
Log Po/w (SILICOS-IT)	5.93
Log Po/w (WLOGP)	4.81
Log Po/w (XLOGP3)	6.05
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	3
Synthetic Accessibility	4.45
Topological Polar Surface Area	72.36 Å²
Veber	0.0

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