Methyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate

Cat. No.: PI917392542

Product Details Other Identifiers Computed Properties

CAS	917392-54-2
Purity	95%
Molecular Formula	C18H16N4O2
Molecular Weight	320.35
Molar Refractivity	91.05

Pubchem ID	17748019
InChI Key	BECBKQYLJDEVDN-UHFFFAOYSA-N
MDL Number	MFCD16619370

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	5
Topological Polar Surface Area	77.0 Å²
Heavy Atom Count	24
Aromatic Heavy Atoms Number	18
Fraction Csp3	0.11
Log Po/w (iLOGP)	2.84
Log Po/w (XLOGP3)	2.89
Log Po/w (WLOGP)	3.38
Log Po/w (MLOGP)	1.75
Log Po/w (SILICOS-IT)	3.06
Consensus Log Po/w	2.78
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.2 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	0.0
Synthetic Accessibility	2.76

* 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 *