Cangrelor tetrasodium

Name: Cangrelor tetrasodium
SKU: PI163706363
Rating: 5 (1 reviews)

Catalog NumberPI163706363

CAS Number163706-36-3

CategoryCardiovascular Agents Intermediates

Product Details

Synonyms	(Dichloro((((((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-((2-(methylthio)ethyl)amino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)methyl)phosphonic acid tetrasodium salt
Purity	98%
Molecular Formula	C17H21Cl2F3N5Na4O12P3S2
Molecular Weight	864.29
Molar Refractivity	146.26

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Other Identifiers

Pubchem ID	10260031
InChI Key	COWWROCHWNGJHQ-OPKBHZIBSA-J
MDL Number	MFCD14635359

Computed Properties

Aromatic Heavy Atoms Number	9
BBB Permeant	No
Bioavailability Score	0.17
Brenk	2.0 alert
Consensus Log Po/w	-16.78
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	1.0
Fraction Csp3	0.71
Ghose	None
GI Absorption	Low
Heavy Atom Count	48
Hydrogen Bond Acceptor Count	18.0
Hydrogen Bond Donor Count	3.0
Leadlikeness	2.0
Lipinski	2.0
Log Kp (Skin Permeation)	-12.28 cm/s
Log Po/w (iLOGP)	-84.12
Log Po/w (MLOGP)	-1.94
Log Po/w (SILICOS-IT)	-2.21
Log Po/w (WLOGP)	5.35
Log Po/w (XLOGP3)	-1.0
Muegge	4.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	16
Synthetic Accessibility	5.84
Topological Polar Surface Area	347.26 Å²
Veber	2.0

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