Fexinidazole

Name: Fexinidazole
SKU: PI59729372
Rating: 5 (1 reviews)

Cat. No.: PI59729372

Product Details Other Identifiers Computed Properties

CAS	59729-37-2
Synonyms	1-Methyl-2-((4-(methylthio)phenoxy)methyl)-5-nitro-1H-imidazole
Purity	98%
Molecular Formula	C12H13N3O3S
Molecular Weight	279.31
Molar Refractivity	75.01

Pubchem ID	68792
InChI Key	MIWWSGDADVMLTG-UHFFFAOYSA-N
MDL Number	MFCD00866607

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	5
Topological Polar Surface Area	98.17 Å²
Heavy Atom Count	19
Aromatic Heavy Atoms Number	11
Fraction Csp3	0.25
Log Po/w (iLOGP)	1.88
Log Po/w (XLOGP3)	2.5
Log Po/w (WLOGP)	2.48
Log Po/w (MLOGP)	2.19
Log Po/w (SILICOS-IT)	0.22
Consensus Log Po/w	1.86
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.23 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	2.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.64

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