Piroxicam Related Compound J

Name: Piroxicam Related Compound J
SKU: PI35511150
Rating: 5 (1 reviews)

Catalog NumberPI35511150

CAS Number35511-15-0

CategoryAnti-Inflammatory Agents Intermediates

Product Details

Synonyms	Methyl 2-methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
Purity	97%
Molecular Formula	C11H11NO5S
Molecular Weight	269.27
Molar Refractivity	66.79

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Other Identifiers

Pubchem ID	54676532
InChI Key	NGHIOTWSWSQQNT-UHFFFAOYSA-N
MDL Number	MFCD00071766

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	No
Bioavailability Score	0.56
Brenk	0.0 alert
Consensus Log Po/w	1.13
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.18
Ghose	None
GI Absorption	High
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	0.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.95 cm/s
Log Po/w (iLOGP)	1.86
Log Po/w (MLOGP)	-0.36
Log Po/w (SILICOS-IT)	-0.08
Log Po/w (WLOGP)	1.42
Log Po/w (XLOGP3)	2.81
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	3.28
Topological Polar Surface Area	92.29 Å²
Veber	0.0

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