4-Methoxyphenylacetyl chloride

Name: 4-Methoxyphenylacetyl chloride
SKU: PI4693918
Rating: 5 (1 reviews)

Catalog NumberPI4693918

CAS Number4693-91-8

CategoryAnti-Addiction Agents Intermediates

Product Details

Purity	98%
Molecular Formula	C9H9ClO2
Molecular Weight	184.62
Molar Refractivity	47.7

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Other Identifiers

Pubchem ID	2734688
InChI Key	CXJOONIFSVSFAD-UHFFFAOYSA-N
MDL Number	MFCD00075474

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	2.16
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.22
Ghose	None
GI Absorption	High
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.72 cm/s
Log Po/w (iLOGP)	2.01
Log Po/w (MLOGP)	1.74
Log Po/w (SILICOS-IT)	2.67
Log Po/w (WLOGP)	2.0
Log Po/w (XLOGP3)	2.4
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	3
Synthetic Accessibility	1.25
Topological Polar Surface Area	26.3 Å²
Veber	0.0

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