PA-824

Name: PA-824
SKU: PI187235376
Rating: 5 (1 reviews)

Cat. No.: PI187235376

Product Details Other Identifiers Computed Properties

CAS	187235-37-6
Synonyms	(S)-2-Nitro-6-((4-(trifluoromethoxy)benzyl)oxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Purity	98%
Molecular Formula	C14H12F3N3O5
Molecular Weight	359.26
Molar Refractivity	78.56

Pubchem ID	456199
InChI Key	ZLHZLMOSPGACSZ-NSHDSACASA-N
MDL Number	MFCD06809939

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	9.0
Rotatable Bond Count	6
Topological Polar Surface Area	91.33 Å²
Heavy Atom Count	25
Aromatic Heavy Atoms Number	11
Fraction Csp3	0.36
Log Po/w (iLOGP)	2.52
Log Po/w (XLOGP3)	2.78
Log Po/w (WLOGP)	3.78
Log Po/w (MLOGP)	1.12
Log Po/w (SILICOS-IT)	0.09
Consensus Log Po/w	2.06
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.52 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	2.0 alert
Leadlikeness	1.0
Synthetic Accessibility	3.66

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