Econazole Related Compound A

Name: Econazole Related Compound A
SKU: PI24155428
Rating: 5 (1 reviews)

Catalog NumberPI24155428

CAS Number24155-42-8

CategoryAntifungals Intermediates

Product Details

Synonyms	1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanol
Purity	97%
Molecular Formula	C11H10Cl2N2O
Molecular Weight	257.12
Molar Refractivity	63.96

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Other Identifiers

Pubchem ID	32238
InChI Key	UKVLTPAGJIYSGN-UHFFFAOYSA-N
MDL Number	MFCD00044708

Computed Properties

Aromatic Heavy Atoms Number	11
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.38
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.18
Ghose	None
GI Absorption	High
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	0.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.99 cm/s
Log Po/w (iLOGP)	2.18
Log Po/w (MLOGP)	1.86
Log Po/w (SILICOS-IT)	2.63
Log Po/w (WLOGP)	2.6
Log Po/w (XLOGP3)	2.64
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	3
Synthetic Accessibility	2.41
Topological Polar Surface Area	38.05 Å²
Veber	0.0

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