(S)-2-(Adamantan-1-yl)-2-(((R)-2-hydroxy-1-phenylethyl)amino)acetic acid hydrochloride

Name: (S)-2-(Adamantan-1-yl)-2-(((R)-2-hydroxy-1-phenylethyl)amino)acetic acid hydrochloride
SKU: PI361441965
Rating: 5 (1 reviews)

Cat. No.: PI361441965

Product Details Other Identifiers Computed Properties

CAS	361441-96-5
Purity	97%
Molecular Formula	C20H28ClNO3
Molecular Weight	365.89
Molar Refractivity	100.0

Pubchem ID	11748881
InChI Key	YXFJXPVSWHATJI-HYQGWMGQSA-N
MDL Number	MFCD28016457

Hydrogen Bond Donor Count	3.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	6
Topological Polar Surface Area	69.56 Å²
Heavy Atom Count	25
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.65
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	1.7
Log Po/w (WLOGP)	3.46
Log Po/w (MLOGP)	0.72
Log Po/w (SILICOS-IT)	2.81
Consensus Log Po/w	1.74
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.32 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	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	4.71

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