H-Gln-OtBu·HCl

Name: H-Gln-OtBu·HCl
SKU: PI39741623
Rating: 5 (1 reviews)

Cat. No.: PI39741623

Product Details Other Identifiers Computed Properties

CAS	39741-62-3
Purity	98%
Molecular Formula	C9H19ClN2O3
Molecular Weight	238.71
Molar Refractivity	59.28

Pubchem ID	15602445
InChI Key	ZEPNUNKDKQACNC-RGMNGODLSA-N
MDL Number	MFCD00039081

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	6
Topological Polar Surface Area	95.41 Å²
Heavy Atom Count	15
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.78
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	0.23
Log Po/w (WLOGP)	0.72
Log Po/w (MLOGP)	0.32
Log Po/w (SILICOS-IT)	-0.07
Consensus Log Po/w	0.24
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.59 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	2.47

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