Methyl 2-chloro-2-oxoacetate

Name: Methyl 2-chloro-2-oxoacetate
SKU: PI5781533
Rating: 5 (1 reviews)

Catalog NumberPI5781533

CAS Number5781-53-3

CategoryAntivirals Intermediates

Product Details

Purity	98%
Molecular Formula	C3H3ClO3
Molecular Weight	122.51
Molar Refractivity	22.82

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Other Identifiers

Pubchem ID	79846
InChI Key	ZXUQEPZWVQIOJE-UHFFFAOYSA-N
MDL Number	MFCD00000705

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	0.4
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.33
Ghose	None
GI Absorption	High
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.29 cm/s
Log Po/w (iLOGP)	1.13
Log Po/w (MLOGP)	-0.5
Log Po/w (SILICOS-IT)	0.38
Log Po/w (WLOGP)	-0.08
Log Po/w (XLOGP3)	1.06
Muegge	2.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	1.65
Topological Polar Surface Area	43.37 Å²
Veber	0.0

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