4-(3-Fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one

Name: 4-(3-Fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one
SKU: PI301693505
Rating: 5 (1 reviews)

Cat. No.: PI301693505

Product Details Other Identifiers Computed Properties

CAS	301693-50-5
Purity	98%
Molecular Formula	C19H17FO2S
Molecular Weight	328.40
Molar Refractivity	91.93

Pubchem ID	18385584
InChI Key	OTXGJFNQTZTDPD-UHFFFAOYSA-N
MDL Number	MFCD22570932

Aromatic Heavy Atoms Number	12
BBB Permeant	Yes
Bioavailability Score	0.56
Brenk	1.0 alert
Consensus Log Po/w	4.51
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Egan	0.0
Fraction Csp3	0.21
Ghose	None
GI Absorption	High
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.09 cm/s
Log Po/w (iLOGP)	3.53
Log Po/w (MLOGP)	3.73
Log Po/w (SILICOS-IT)	5.55
Log Po/w (WLOGP)	5.21
Log Po/w (XLOGP3)	4.53
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	3
Synthetic Accessibility	3.24
Topological Polar Surface Area	51.6 Å²
Veber	0.0

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