Dabrafenib Mesylate

Cat. No.: PI1195768069

Product Details Other Identifiers Computed Properties

CAS	1195768-06-9
Synonyms	N-(3-(5-(2-Aminopyrimidin-4-yl)-2-(tert-butyl)thiazol-4-yl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide methanesulfonate
Purity	99%
Molecular Formula	C24H24F3N5O5S3
Molecular Weight	615.67
Molar Refractivity	146.69

Pubchem ID	44516822
InChI Key	YKGMKSIHIVVYKY-UHFFFAOYSA-N

Hydrogen Bond Donor Count	3.0
Hydrogen Bond Acceptor Count	11.0
Rotatable Bond Count	6
Topological Polar Surface Area	210.23 Å²
Heavy Atom Count	40
Aromatic Heavy Atoms Number	23
Fraction Csp3	0.21
Log Po/w (iLOGP)	2.7
Log Po/w (XLOGP3)	3.89
Log Po/w (WLOGP)	8.11
Log Po/w (MLOGP)	2.3
Log Po/w (SILICOS-IT)	5.51
Consensus Log Po/w	4.5
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.29 cm/s
Lipinski	1.0
Ghose	None
Veber	1.0
Egan	2.0
Muegge	3.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	2.0
Synthetic Accessibility	4.42

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