Tasimelteon

Name: Tasimelteon
SKU: PI609799226
Rating: 5 (1 reviews)

Cat. No.: PI609799226

Product Details Other Identifiers Computed Properties

CAS	609799-22-6
Synonyms	N-(((1R,2R)-2-(2,3-Dihydrobenzofuran-4-yl)cyclopropyl)methyl)propionamide
Purity	98%
Molecular Formula	C15H19NO2
Molecular Weight	245.32
Molar Refractivity	70.48

Pubchem ID	10220503
InChI Key	PTOIAAWZLUQTIO-GXFFZTMASA-N
MDL Number	MFCD09033789

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	5
Topological Polar Surface Area	38.33 Å²
Heavy Atom Count	18
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.53
Log Po/w (iLOGP)	2.56
Log Po/w (XLOGP3)	2.15
Log Po/w (WLOGP)	2.25
Log Po/w (MLOGP)	2.24
Log Po/w (SILICOS-IT)	3.31
Consensus Log Po/w	2.5
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.27 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	2.96

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