Ethyl 6,7-difluoro-1-methyl-4-oxo-1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

Name: Ethyl 6,7-difluoro-1-methyl-4-oxo-1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
SKU: PI113046723
Rating: 5 (1 reviews)

Cat. No.: PI113046723

Product Details Other Identifiers Computed Properties

CAS	113046-72-3
Purity	97%
Molecular Formula	C14H11F2NO3S
Molecular Weight	311.30
Molar Refractivity	75.08

Pubchem ID	10380740
InChI Key	UUJUEXKIHKGFTH-UHFFFAOYSA-N
MDL Number	MFCD08063939

Aromatic Heavy Atoms Number	10
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	3.16
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.29
Ghose	None
GI Absorption	High
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	0.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.82 cm/s
Log Po/w (iLOGP)	2.72
Log Po/w (MLOGP)	2.58
Log Po/w (SILICOS-IT)	3.54
Log Po/w (WLOGP)	3.6
Log Po/w (XLOGP3)	3.35
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	3
Synthetic Accessibility	3.33
Topological Polar Surface Area	73.6 Å²
Veber	0.0

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