BX471

Name: BX471
SKU: PI217645700
Rating: 5 (1 reviews)

Catalog NumberPI217645700

CAS Number217645-70-0

CategoryAnti-Infection Intermediates

Product Details

Synonyms	(R)-1-(5-Chloro-2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea
Purity	98%
Molecular Formula	C21H24ClFN4O3
Molecular Weight	434.89
Molar Refractivity	120.35

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Other Identifiers

Pubchem ID	512282
InChI Key	XQYASZNUFDVMFH-CQSZACIVSA-N
MDL Number	MFCD09859709

Computed Properties

Aromatic Heavy Atoms Number	12
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.54
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Egan	0.0
Fraction Csp3	0.33
Ghose	None
GI Absorption	High
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	5.0
Hydrogen Bond Donor Count	2.0
Leadlikeness	2.0
Lipinski	0.0
Log Kp (Skin Permeation)	-7.18 cm/s
Log Po/w (iLOGP)	3.08
Log Po/w (MLOGP)	2.38
Log Po/w (SILICOS-IT)	2.33
Log Po/w (WLOGP)	2.4
Log Po/w (XLOGP3)	2.49
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	8
Synthetic Accessibility	3.33
Topological Polar Surface Area	87.9 Å²
Veber	0.0

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