Leflunomide impurity A

Name: Leflunomide impurity A
SKU: PI455141
Rating: 5 (1 reviews)

Catalog NumberPI455141

CAS Number455-14-1

CategoryCNS Agents Intermediates

Product Details

Synonyms	4-(Trifluoromethyl)aniline
Purity	98%
Molecular Formula	C7H6F3N
Linear Formula	(CF3)C6H4NH2
Molecular Weight	161.12
Molar Refractivity	35.85

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Other Identifiers

Pubchem ID	9964
InChI Key	ODGIMMLDVSWADK-UHFFFAOYSA-N
MDL Number	MFCD00064396

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	2.41
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.14
Ghose	None
GI Absorption	High
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.59 cm/s
Log Po/w (iLOGP)	1.54
Log Po/w (MLOGP)	2.57
Log Po/w (SILICOS-IT)	2.11
Log Po/w (WLOGP)	3.45
Log Po/w (XLOGP3)	2.39
Muegge	2.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	1
Synthetic Accessibility	1.0
Topological Polar Surface Area	26.02 Å²
Veber	0.0

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