PA-824

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

Catalog NumberPI187235376

CAS Number187235-37-6

CategoryAnti-Infection Intermediates

Product Details

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

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Other Identifiers

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

Computed Properties

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

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