4-Methoxyphenylacetyl chloride

Cat. No.: PI4693918

Product Details Other Identifiers Computed Properties

CAS	4693-91-8
Purity	98%
Molecular Formula	C9H9ClO2
Molecular Weight	184.62
Molar Refractivity	47.7

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

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

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