NEPA

Name: NEPA
SKU: PI82717962
Rating: 5 (1 reviews)

Catalog NumberPI82717962

CAS Number82717-96-2

CategoryCardiovascular Agents Intermediates

Product Details

Synonyms	(S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoic acid
Purity	97%
Molecular Formula	C15H21NO4
Molecular Weight	279.33
Molar Refractivity	75.72

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Other Identifiers

Pubchem ID	5702571
InChI Key	CEIWXEQZZZHLDM-AAEUAGOBSA-N
MDL Number	MFCD00209976

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	1.2
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.47
Ghose	None
GI Absorption	High
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5.0
Hydrogen Bond Donor Count	2.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-7.9 cm/s
Log Po/w (iLOGP)	2.44
Log Po/w (MLOGP)	-0.4
Log Po/w (SILICOS-IT)	2.19
Log Po/w (WLOGP)	1.61
Log Po/w (XLOGP3)	0.15
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	9
Synthetic Accessibility	2.81
Topological Polar Surface Area	75.63 Å²
Veber	0.0

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