Methyltriphenylphosphonium bromide

Name: Methyltriphenylphosphonium bromide
SKU: PI1779493
Rating: 5 (1 reviews)

Cat. No.: PI1779493

Product Details Other Identifiers Computed Properties

CAS	1779-49-3
Purity	98%
Molecular Formula	C19H18BrP
Molecular Weight	357.22
Molar Refractivity	99.94

Pubchem ID	74505
InChI Key	LSEFCHWGJNHZNT-UHFFFAOYSA-M
MDL Number	MFCD00011804

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	0.0
Rotatable Bond Count	3
Topological Polar Surface Area	13.59 Å²
Heavy Atom Count	21
Aromatic Heavy Atoms Number	18
Fraction Csp3	0.05
Log Po/w (iLOGP)	-1.74
Log Po/w (XLOGP3)	4.37
Log Po/w (WLOGP)	0.61
Log Po/w (MLOGP)	5.74
Log Po/w (SILICOS-IT)	4.74
Consensus Log Po/w	2.74
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.38 cm/s
Lipinski	1.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	2.0
Synthetic Accessibility	4.5

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