N-Trityl Candesartan

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

Catalog NumberPI139481724

CAS Number139481-72-4

CategoryCardiovascular Agents Intermediates

Product Details

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

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Other Identifiers

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

Computed Properties

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

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