Idelalisib

Name: Idelalisib
SKU: PI870281826
Rating: 5 (1 reviews)

Cat. No.: PI870281826

Product Details Other Identifiers Computed Properties

CAS	870281-82-6
Synonyms	(S)-2-(1-((9H-Purin-6-yl)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
Purity	98%
Molecular Formula	C22H18FN7O
Molecular Weight	415.42
Molar Refractivity	115.95

Pubchem ID	11625818
InChI Key	IFSDAJWBUCMOAH-HNNXBMFYSA-N
MDL Number	MFCD19443647

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	5
Topological Polar Surface Area	101.38 Å²
Heavy Atom Count	31
Aromatic Heavy Atoms Number	25
Fraction Csp3	0.14
Log Po/w (iLOGP)	2.7
Log Po/w (XLOGP3)	3.69
Log Po/w (WLOGP)	3.66
Log Po/w (MLOGP)	2.88
Log Po/w (SILICOS-IT)	3.48
Consensus Log Po/w	3.28
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.21 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	2.0
Synthetic Accessibility	3.86

* 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 *