Dibenzyl malonate

Name: Dibenzyl malonate
SKU: PI15014252
Rating: 5 (1 reviews)

Catalog NumberPI15014252

CAS Number15014-25-2

CategoryAntineoplastics Intermediates

Product Details

Purity	92%
Molecular Formula	C17H16O4
Molecular Weight	284.31
Molar Refractivity	77.69

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Other Identifiers

Pubchem ID	84754
InChI Key	RYFCSKVXWRJEOB-UHFFFAOYSA-N
MDL Number	MFCD00004779

Computed Properties

Aromatic Heavy Atoms Number	12
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	2.95
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.18
Ghose	None
GI Absorption	High
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.81 cm/s
Log Po/w (iLOGP)	2.7
Log Po/w (MLOGP)	2.9
Log Po/w (SILICOS-IT)	3.48
Log Po/w (WLOGP)	2.56
Log Po/w (XLOGP3)	3.13
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	8
Synthetic Accessibility	2.05
Topological Polar Surface Area	52.6 Å²
Veber	0.0

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