L-Alanine Isopropyl Ester HCl

Name: L-Alanine Isopropyl Ester HCl
SKU: PI62062651
Rating: 5 (1 reviews)

Catalog NumberPI62062651

CAS Number62062-65-1

CategoryAntivirals Intermediates

Product Details

Synonyms	(S)-Isopropyl 2-aminopropanoate hydrochloride
Purity	97%
Molecular Formula	C6H14ClNO2
Molecular Weight	167.63
Molar Refractivity	41.91

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Other Identifiers

Pubchem ID	13089459
InChI Key	YAQKNCSWDMGPOY-JEDNCBNOSA-N
MDL Number	MFCD08059709

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	0.61
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.83
Ghose	None
GI Absorption	High
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.46 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	0.75
Log Po/w (SILICOS-IT)	0.0
Log Po/w (WLOGP)	1.09
Log Po/w (XLOGP3)	1.21
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	3
Synthetic Accessibility	1.68
Topological Polar Surface Area	52.32 Å²
Veber	0.0

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