Oxcarbazepine impurity C

Name: Oxcarbazepine impurity C
SKU: PI21737586
Rating: 5 (1 reviews)

Catalog NumberPI21737586

CAS Number21737-58-6

CategoryAnticonvulsants Intermediates

Product Details

Synonyms	5H-Dibenzo[b,f]azepin-10(11H)-one
Purity	98%
Molecular Formula	C14H11NO
Molecular Weight	209.24
Molar Refractivity	67.16

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Other Identifiers

Pubchem ID	11160106
InChI Key	VSZGCLXGCOECAY-UHFFFAOYSA-N
MDL Number	MFCD00101078

Computed Properties

Aromatic Heavy Atoms Number	12
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.68
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Egan	0.0
Fraction Csp3	0.07
Ghose	None
GI Absorption	High
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.51 cm/s
Log Po/w (iLOGP)	2.03
Log Po/w (MLOGP)	2.48
Log Po/w (SILICOS-IT)	3.19
Log Po/w (WLOGP)	2.79
Log Po/w (XLOGP3)	2.91
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	0
Synthetic Accessibility	2.47
Topological Polar Surface Area	29.1 Å²
Veber	0.0

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