Primaquine diphosphate

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

Cat. No.: PI63456

Product Details Other Identifiers Computed Properties

CAS	63-45-6
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

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

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

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