N-Trityl Candesartan

Name: N-Trityl Candesartan
SKU: PI139481724
Rating: 5 (1 reviews)

Cat. No.: PI139481724

Product Details Other Identifiers Computed Properties

CAS	139481-72-4
Synonyms	2-Ethoxy-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylic acid
Purity	97%
Molecular Formula	C43H34N6O3
Molecular Weight	682.77
Molar Refractivity	200.59

Pubchem ID	10312563
InChI Key	VBMKOTRJWPIKMG-UHFFFAOYSA-N
MDL Number	MFCD08436154

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	7.0
Rotatable Bond Count	11
Topological Polar Surface Area	107.95 Å²
Heavy Atom Count	52
Aromatic Heavy Atoms Number	44
Fraction Csp3	0.09
Log Po/w (iLOGP)	4.01
Log Po/w (XLOGP3)	8.94
Log Po/w (WLOGP)	8.34
Log Po/w (MLOGP)	6.44
Log Po/w (SILICOS-IT)	7.0
Consensus Log Po/w	6.94
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-4.12 cm/s
Lipinski	2.0
Ghose	None
Veber	1.0
Egan	1.0
Muegge	3.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	3.0
Synthetic Accessibility	5.14

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