Cetylpyridinium chloride

Name: Cetylpyridinium chloride
SKU: PI123035
Rating: 5 (1 reviews)

Cat. No.: PI123035

Product Details Other Identifiers Computed Properties

CAS	123-03-5
Synonyms	1-Hexadecylpyridin-1-ium chloride
Purity	97%
Molecular Formula	C21H38ClN
Molecular Weight	339.99
Molar Refractivity	107.99

Pubchem ID	31239
InChI Key	YMKDRGPMQRFJGP-UHFFFAOYSA-M
MDL Number	MFCD00011731

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	0.0
Rotatable Bond Count	15
Topological Polar Surface Area	3.88 Å²
Heavy Atom Count	23
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.76
Log Po/w (iLOGP)	-1.6
Log Po/w (XLOGP3)	2.54
Log Po/w (WLOGP)	3.46
Log Po/w (MLOGP)	5.1
Log Po/w (SILICOS-IT)	6.68
Consensus Log Po/w	3.24
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.57 cm/s
Lipinski	1.0
Ghose	None
Veber	1.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.35

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