Ziprasidone Related Compound A

Name: Ziprasidone Related Compound A
SKU: PI87691881
Rating: 5 (1 reviews)

Catalog NumberPI87691881

CAS Number87691-88-1

CategoryAntipsychotics Intermediates

Product Details

Synonyms	3-Piperazinobenzisothiazole hydrochloride
Purity	95%
Molecular Formula	C11H14ClN3S
Molecular Weight	255.77
Molar Refractivity	77.94

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Other Identifiers

MDL Number

MFCD00674131

Computed Properties

Aromatic Heavy Atoms Number	9
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	1.88
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.36
Ghose	None
GI Absorption	High
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	0.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.77 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	1.9
Log Po/w (SILICOS-IT)	2.79
Log Po/w (WLOGP)	1.75
Log Po/w (XLOGP3)	2.94
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	1
Synthetic Accessibility	2.54
Topological Polar Surface Area	56.4 Å²
Veber	0.0

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