Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

Name: Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
SKU: PI100491290
Rating: 5 (1 reviews)

Cat. No.: PI100491290

Product Details Other Identifiers Computed Properties

CAS	100491-29-0
Purity	97%
Molecular Formula	C17H10ClF3N2O3
Molecular Weight	382.72
Molar Refractivity	88.31

Pubchem ID	1268243
InChI Key	JLSXYCZRMYCIMY-UHFFFAOYSA-N
MDL Number	MFCD01863285

Aromatic Heavy Atoms Number	16
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	4.08
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.12
Ghose	None
GI Absorption	High
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	7.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	2.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.76 cm/s
Log Po/w (iLOGP)	3.18
Log Po/w (MLOGP)	3.54
Log Po/w (SILICOS-IT)	4.73
Log Po/w (WLOGP)	4.89
Log Po/w (XLOGP3)	4.05
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	4
Synthetic Accessibility	2.67
Topological Polar Surface Area	61.19 Å²
Veber	0.0

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