Ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate

Name: Ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate
SKU: PI101987864
Rating: 5 (1 reviews)

Cat. No.: PI101987864

Product Details Other Identifiers Computed Properties

CAS	101987-86-4
Purity	97%
Molecular Formula	C11H8ClF3O3
Molecular Weight	280.63
Molar Refractivity	57.23

Pubchem ID	10934859
InChI Key	LZMXLCPYJNRWNQ-UHFFFAOYSA-N
MDL Number	MFCD09037898

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	3.0 alert
Consensus Log Po/w	3.37
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.27
Ghose	None
GI Absorption	High
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	0.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.94 cm/s
Log Po/w (iLOGP)	2.12
Log Po/w (MLOGP)	3.37
Log Po/w (SILICOS-IT)	4.31
Log Po/w (WLOGP)	4.15
Log Po/w (XLOGP3)	2.92
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	5
Synthetic Accessibility	2.28
Topological Polar Surface Area	43.37 Å²
Veber	0.0

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