Ciclopirox olamine

Name: Ciclopirox olamine
SKU: PI41621492
Rating: 5 (1 reviews)

Cat. No.: PI41621492

Product Details Other Identifiers Computed Properties

CAS	41621-49-2
Synonyms	6-Cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one 2-aminoethanol salt
Purity	99%
Molecular Formula	C14H24N2O3
Linear Formula	C12H17NO2·C2H7NO
Molecular Weight	268.35
Molar Refractivity	75.69

Pubchem ID	38911
InChI Key	MBRHNTMUYWQHMR-UHFFFAOYSA-N
MDL Number	MFCD00078997

Hydrogen Bond Donor Count	3.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	2
Topological Polar Surface Area	88.48 Å²
Heavy Atom Count	19
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.64
Log Po/w (iLOGP)	2.81
Log Po/w (XLOGP3)	0.59
Log Po/w (WLOGP)	1.38
Log Po/w (MLOGP)	1.52
Log Po/w (SILICOS-IT)	2.16
Consensus Log Po/w	1.69
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.52 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	1.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.85

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