Methylmalonic acid

Name: Methylmalonic acid
SKU: PI516052
Rating: 5 (1 reviews)

Catalog NumberPI516052

CAS Number516-05-2

CategoryAntineoplastics Intermediates

Product Details

Synonyms	2-Methylmalonic acid
Purity	97%
Molecular Formula	C4H6O4
Linear Formula	CH3CH(COOH)2
Molecular Weight	118.09
Molar Refractivity	24.89

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Other Identifiers

Pubchem ID	487
InChI Key	ZIYVHBGGAOATLY-UHFFFAOYSA-N
MDL Number	MFCD00002656

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.56
Brenk	1.0 alert
Consensus Log Po/w	-0.23
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.5
Ghose	None
GI Absorption	High
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	2.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.98 cm/s
Log Po/w (iLOGP)	0.35
Log Po/w (MLOGP)	-0.54
Log Po/w (SILICOS-IT)	-0.8
Log Po/w (WLOGP)	-0.21
Log Po/w (XLOGP3)	0.06
Muegge	2.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	1.08
Topological Polar Surface Area	74.6 Å²
Veber	0.0

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