Alectinib Hydrochloride

Cat. No.: PI1256589748

Product Details Other Identifiers Computed Properties

CAS	1256589-74-8
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

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

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

* Our products are for research use only.

Get in Touch

We’re glad to help you with your products and services demands. For any inquiry, question or recommendation, please send an email to or fill out the following form.

Name *

Phone

Email *

Address *

Products & Service of Interest *

Project Description

Verification Code *