Lomitapide mesylate

Name: Lomitapide mesylate
SKU: PI202914849
Rating: 5 (1 reviews)

Catalog NumberPI202914849

CAS Number202914-84-9

CategoryCardiovascular Agents Intermediates

Product Details

Synonyms	N-(2,2,2-Trifluoroethyl)-9-(4-(4-(4'-(trifluoromethyl)-[1,1'-biphenyl]-2-ylcarboxamido)piperidin-1-yl)butyl)-9H-fluorene-9-carboxamide methanesulfonate
Purity	98%
Molecular Formula	C40H41F6N3O5S
Molecular Weight	789.83
Molar Refractivity	200.76

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Other Identifiers

Pubchem ID	11274333
InChI Key	QKVKOFVWUHNEBX-UHFFFAOYSA-N

Computed Properties

Aromatic Heavy Atoms Number	24
BBB Permeant	No
Bioavailability Score	0.17
Brenk	1.0 alert
Consensus Log Po/w	7.08
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	1.0
Fraction Csp3	0.35
Ghose	None
GI Absorption	Low
Heavy Atom Count	55
Hydrogen Bond Acceptor Count	12.0
Hydrogen Bond Donor Count	3.0
Leadlikeness	3.0
Lipinski	2.0
Log Kp (Skin Permeation)	-7.25 cm/s
Log Po/w (iLOGP)	4.55
Log Po/w (MLOGP)	5.13
Log Po/w (SILICOS-IT)	9.26
Log Po/w (WLOGP)	11.0
Log Po/w (XLOGP3)	5.45
Muegge	3.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	14
Synthetic Accessibility	5.66
Topological Polar Surface Area	124.19 Å²
Veber	1.0

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