H-D-Trp-OMe·HCl

Cat. No.: PI14907278

Product Details Other Identifiers Computed Properties

CAS	14907-27-8
Purity	98%
Molecular Formula	C12H15ClN2O2
Molecular Weight	254.71
Molar Refractivity	68.64

Pubchem ID	11448200
InChI Key	XNFNGGQRDXFYMM-HNCPQSOCSA-N
MDL Number	MFCD00038992

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	4
Topological Polar Surface Area	68.11 Å²
Heavy Atom Count	17
Aromatic Heavy Atoms Number	9
Fraction Csp3	0.25
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	2.35
Log Po/w (WLOGP)	2.01
Log Po/w (MLOGP)	1.11
Log Po/w (SILICOS-IT)	2.04
Consensus Log Po/w	1.5
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.19 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	0.0
Synthetic Accessibility	2.29

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