1-Trityl-1H-imidazole-4-carbaldehyde

Name: 1-Trityl-1H-imidazole-4-carbaldehyde
SKU: PI33016476
Rating: 5 (1 reviews)

Cat. No.: PI33016476

Product Details Other Identifiers Computed Properties

CAS	33016-47-6
Purity	97%
Molecular Formula	C23H18N2O
Molecular Weight	338.40
Molar Refractivity	102.22

Pubchem ID	618233
InChI Key	YQYLLBSWWRWWAY-UHFFFAOYSA-N
MDL Number	MFCD02179554

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	5
Topological Polar Surface Area	34.89 Å²
Heavy Atom Count	26
Aromatic Heavy Atoms Number	23
Fraction Csp3	0.04
Log Po/w (iLOGP)	2.61
Log Po/w (XLOGP3)	4.58
Log Po/w (WLOGP)	4.54
Log Po/w (MLOGP)	3.16
Log Po/w (SILICOS-IT)	4.54
Consensus Log Po/w	3.89
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-5.11 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	1.0
Synthetic Accessibility	2.69

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