Taurocholic acid sodium

Name: Taurocholic acid sodium
SKU: PI145426
Rating: 5 (1 reviews)

Catalog NumberPI145426

CAS Number145-42-6

CategoryOther Intermediates

Product Details

Synonyms	Sodium 2-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate (1:1)
Purity	98%
Molecular Formula	C26H44NNaO7S
Molecular Weight	537.68
Molar Refractivity	133.29

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Other Identifiers

MDL Number

MFCD00150819

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	-0.83
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	1.0
Fraction Csp3	0.96
Ghose	None
GI Absorption	Low
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	7.0
Hydrogen Bond Donor Count	4.0
Leadlikeness	2.0
Lipinski	1.0
Log Kp (Skin Permeation)	-9.11 cm/s
Log Po/w (iLOGP)	-11.43
Log Po/w (MLOGP)	2.07
Log Po/w (SILICOS-IT)	1.44
Log Po/w (WLOGP)	3.11
Log Po/w (XLOGP3)	0.66
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	8
Synthetic Accessibility	5.95
Topological Polar Surface Area	155.37 Å²
Veber	1.0

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