1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate

Name: 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate
SKU: PI170791090
Rating: 5 (1 reviews)

Cat. No.: PI170791090

Product Details Other Identifiers Computed Properties

CAS	170791-09-0
Purity	97%
Molecular Formula	C52H48N6O6
Molecular Weight	852.97
Molar Refractivity	244.01

Pubchem ID	11029254
InChI Key	MOHQWFWIPOOTGV-UHFFFAOYSA-N
MDL Number	MFCD07781274

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	10.0
Rotatable Bond Count	17
Topological Polar Surface Area	132.48 Å²
Heavy Atom Count	64
Aromatic Heavy Atoms Number	44
Fraction Csp3	0.23
Log Po/w (iLOGP)	6.58
Log Po/w (XLOGP3)	11.9
Log Po/w (WLOGP)	10.63
Log Po/w (MLOGP)	7.15
Log Po/w (SILICOS-IT)	8.37
Consensus Log Po/w	8.93
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-3.05 cm/s
Lipinski	3.0
Ghose	None
Veber	1.0
Egan	2.0
Muegge	4.0
Bioavailability Score	0.17
PAINS	0.0 alert
Brenk	2.0 alert
Leadlikeness	3.0
Synthetic Accessibility	6.44

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