Tetrahydro-4H-pyran-4-one

Name: Tetrahydro-4H-pyran-4-one
SKU: PI29943428
Rating: 5 (1 reviews)

Catalog NumberPI29943428

CAS Number29943-42-8

CategoryAntineoplastics Intermediates

Product Details

Synonyms	Dihydro-2H-pyran-4(3H)-one
Purity	98%
Molecular Formula	C5H8O2
Linear Formula	O(CH2CH2)2CO
Molecular Weight	100.12
Molar Refractivity	25.32

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Other Identifiers

Pubchem ID	121599
InChI Key	JMJRYTGVHCAYCT-UHFFFAOYSA-N
MDL Number	MFCD00006581

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	0.5
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.8
Ghose	None
GI Absorption	High
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-7.24 cm/s
Log Po/w (iLOGP)	1.28
Log Po/w (MLOGP)	-0.31
Log Po/w (SILICOS-IT)	1.64
Log Po/w (WLOGP)	0.37
Log Po/w (XLOGP3)	-0.47
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	0
Synthetic Accessibility	1.33
Topological Polar Surface Area	26.3 Å²
Veber	0.0

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