Isobutyramide

Name: Isobutyramide
SKU: PI563837
Rating: 5 (1 reviews)

Cat. No.: PI563837

Product Details Other Identifiers Computed Properties

CAS	563-83-7
Purity	97%
Molecular Formula	C4H9NO
Linear Formula	(CH3)2CHC(O)NH2
Molecular Weight	87.12
Molar Refractivity	24.25

Pubchem ID	68424
InChI Key	WFKAJVHLWXSISD-UHFFFAOYSA-N
MDL Number	MFCD00008019

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	0.23
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.75
Ghose	None
GI Absorption	High
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	1.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.7 cm/s
Log Po/w (iLOGP)	1.04
Log Po/w (MLOGP)	0.08
Log Po/w (SILICOS-IT)	-0.28
Log Po/w (WLOGP)	0.13
Log Po/w (XLOGP3)	0.18
Muegge	2.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	1
Synthetic Accessibility	1.0
Topological Polar Surface Area	43.09 Å²
Veber	0.0

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