Primaquine diphosphate

Name: Primaquine diphosphate
SKU: PI63456
Rating: 5 (1 reviews)

Catalog NumberPI63456

CAS Number63-45-6

CategoryAnti-Infection Intermediates

Product Details

Synonyms	N4-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine bis(phosphate)
Purity	98%
Molecular Formula	C15H27N3O9P2
Linear Formula	C9H5N(OCH3)NHCH(CH3)(CH2)3NH2·2H3PO4
Molecular Weight	455.34
Molar Refractivity	108.0

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Other Identifiers

Pubchem ID	6135
InChI Key	GJOHLWZHWQUKAU-UHFFFAOYSA-N
MDL Number	MFCD00013166

Computed Properties

Aromatic Heavy Atoms Number	10
BBB Permeant	No
Bioavailability Score	0.17
Brenk	1.0 alert
Consensus Log Po/w	-0.42
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	1.0
Fraction Csp3	0.4
Ghose	None
GI Absorption	Low
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	11.0
Hydrogen Bond Donor Count	8.0
Leadlikeness	1.0
Lipinski	2.0
Log Kp (Skin Permeation)	-12.08 cm/s
Log Po/w (iLOGP)	0.64
Log Po/w (MLOGP)	-1.82
Log Po/w (SILICOS-IT)	2.55
Log Po/w (WLOGP)	0.73
Log Po/w (XLOGP3)	-4.23
Muegge	4.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	6
Synthetic Accessibility	3.47
Topological Polar Surface Area	235.31 Å²
Veber	1.0

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