Fmoc-Cys(Acm)-OH

Cat. No.: PI86060813

Product Details Other Identifiers Computed Properties

CAS	86060-81-3
Purity	98%
Molecular Formula	C21H22N2O5S
Molecular Weight	414.47
Molar Refractivity	110.19

Pubchem ID	128799
InChI Key	CSMYOORPUGPKAP-IBGZPJMESA-N
MDL Number	MFCD00038769

Hydrogen Bond Donor Count	3.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	11
Topological Polar Surface Area	130.03 Å²
Heavy Atom Count	29
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.29
Log Po/w (iLOGP)	1.92
Log Po/w (XLOGP3)	2.75
Log Po/w (WLOGP)	2.81
Log Po/w (MLOGP)	1.72
Log Po/w (SILICOS-IT)	2.63
Consensus Log Po/w	2.36
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.88 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	2.0
Synthetic Accessibility	4.45

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