Dimethylmalonate

Name: Dimethylmalonate
SKU: PI108598
Rating: 5 (1 reviews)

Cat. No.: PI108598

Product Details Other Identifiers Computed Properties

CAS	108-59-8
Purity	99%
Molecular Formula	C5H8O4
Linear Formula	CH2(COO)2(CH3)2
Molecular Weight	132.11
Molar Refractivity	28.72

Pubchem ID	7943
InChI Key	BEPAFCGSDWSTEL-UHFFFAOYSA-N

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	0.18
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.6
Ghose	None
GI Absorption	High
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-7.14 cm/s
Log Po/w (iLOGP)	1.37
Log Po/w (MLOGP)	-0.13
Log Po/w (SILICOS-IT)	0.01
Log Po/w (WLOGP)	-0.28
Log Po/w (XLOGP3)	-0.05
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	4
Synthetic Accessibility	1.35
Topological Polar Surface Area	52.6 Å²
Veber	0.0

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