Triclabendazole

Name: Triclabendazole
SKU: PI68786663
Rating: 5 (1 reviews)

Cat. No.: PI68786663

Product Details Other Identifiers Computed Properties

CAS	68786-66-3
Synonyms	6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylthio)-1H-benzo[d]imidazole
Purity	98%
Molecular Formula	C14H9Cl3N2OS
Molecular Weight	359.66
Molar Refractivity	89.36

Pubchem ID	50248
InChI Key	NQPDXQQQCQDHHW-UHFFFAOYSA-N
MDL Number	MFCD03147039

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	3
Topological Polar Surface Area	63.21 Å²
Heavy Atom Count	21
Aromatic Heavy Atoms Number	15
Fraction Csp3	0.07
Log Po/w (iLOGP)	3.0
Log Po/w (XLOGP3)	5.74
Log Po/w (WLOGP)	6.04
Log Po/w (MLOGP)	4.28
Log Po/w (SILICOS-IT)	5.52
Consensus Log Po/w	4.92
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-4.42 cm/s
Lipinski	1.0
Ghose	None
Veber	0.0
Egan	1.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	2.0
Synthetic Accessibility	2.36

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