Boc-DL-Glu(OBzl)-OH

Cat. No.: PI117997816

Product Details Other Identifiers Computed Properties

CAS	117997-81-6
Synonyms	5-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)-5-oxopentanoic acid
Purity	97%
Molecular Formula	C17H23NO6
Linear Formula	HOCOCH(CH2CH2COOCH2C6H5)NHCOOC4H9
Molecular Weight	337.37
Molar Refractivity	87.05

Pubchem ID	295483
InChI Key	AJDUMMXHVCMISJ-UHFFFAOYSA-N
MDL Number	MFCD00798612

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	11
Topological Polar Surface Area	101.93 Å²
Heavy Atom Count	24
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.47
Log Po/w (iLOGP)	2.64
Log Po/w (XLOGP3)	2.23
Log Po/w (WLOGP)	2.34
Log Po/w (MLOGP)	1.83
Log Po/w (SILICOS-IT)	1.99
Consensus Log Po/w	2.21
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.77 cm/s
Lipinski	0.0
Ghose	None
Veber	1.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	3.3

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