3-(Hexadecyloxy)propan-1-ol

Name: 3-(Hexadecyloxy)propan-1-ol
SKU: PI23377404
Rating: 5 (1 reviews)

Cat. No.: PI23377404

Product Details Other Identifiers Computed Properties

CAS	23377-40-4
Purity	98%
Molecular Formula	C19H40O2
Molecular Weight	300.52
Molar Refractivity	95.69

Pubchem ID	165753
InChI Key	YDCSFYSJEYSCBP-UHFFFAOYSA-N
MDL Number	MFCD00171483

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	18
Topological Polar Surface Area	29.46 Å²
Heavy Atom Count	21
Aromatic Heavy Atoms Number	0
Fraction Csp3	1.0
Log Po/w (iLOGP)	4.97
Log Po/w (XLOGP3)	7.5
Log Po/w (WLOGP)	5.87
Log Po/w (MLOGP)	4.24
Log Po/w (SILICOS-IT)	6.56
Consensus Log Po/w	5.83
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-2.81 cm/s
Lipinski	1.0
Ghose	None
Veber	1.0
Egan	0.0
Muegge	2.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	2.0
Synthetic Accessibility	3.47

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