tert-Butyl ((2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl)carbamate

Name: tert-Butyl ((2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl)carbamate
SKU: PI1172623981
Rating: 5 (1 reviews)

Cat. No.: PI1172623981

Product Details Other Identifiers Computed Properties

CAS	1172623-98-1
Purity	98%
Molecular Formula	C16H19F2NO3
Molecular Weight	311.32
Molar Refractivity	77.6

Pubchem ID	91667627
InChI Key	OLXPRJZWYJVTID-UONOGXRCSA-N
MDL Number	MFCD28144045

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	5
Topological Polar Surface Area	47.56 Å²
Heavy Atom Count	22
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.44
Log Po/w (iLOGP)	3.38
Log Po/w (XLOGP3)	3.3
Log Po/w (WLOGP)	4.35
Log Po/w (MLOGP)	2.88
Log Po/w (SILICOS-IT)	2.92
Consensus Log Po/w	3.36
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.86 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	4.04

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