Fmoc-Ile-OH

Name: Fmoc-Ile-OH
SKU: PI71989236
Rating: 5 (1 reviews)

Cat. No.: PI71989236

Product Details Other Identifiers Computed Properties

CAS	71989-23-6
Purity	98%
Molecular Formula	C21H23NO4
Linear Formula	C13H9CH2OCONHCHCHCH3CH2CH3CO2H
Molecular Weight	353.41
Molar Refractivity	99.59

Pubchem ID	2724629
InChI Key	QXVFEIPAZSXRGM-DJJJIMSYSA-N
MDL Number	MFCD00037125

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	8
Topological Polar Surface Area	75.63 Å²
Heavy Atom Count	26
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.33
Log Po/w (iLOGP)	2.54
Log Po/w (XLOGP3)	4.38
Log Po/w (WLOGP)	4.02
Log Po/w (MLOGP)	3.0
Log Po/w (SILICOS-IT)	3.55
Consensus Log Po/w	3.5
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-5.35 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	3.0
Synthetic Accessibility	4.05

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