Methyl 5-chloropyrazine-2-carboxylate

Name: Methyl 5-chloropyrazine-2-carboxylate
SKU: PI33332251
Rating: 5 (1 reviews)

Cat. No.: PI33332251

Product Details Other Identifiers Computed Properties

CAS	33332-25-1
Purity	98%
Molecular Formula	C6H5ClN2O2
Molecular Weight	172.57
Molar Refractivity	38.32

Pubchem ID	406081
InChI Key	CVVMLRFXZPKILB-UHFFFAOYSA-N
MDL Number	MFCD01632102

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	2
Topological Polar Surface Area	52.08 Å²
Heavy Atom Count	11
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.17
Log Po/w (iLOGP)	1.5
Log Po/w (XLOGP3)	0.47
Log Po/w (WLOGP)	0.92
Log Po/w (MLOGP)	-0.26
Log Po/w (SILICOS-IT)	1.38
Consensus Log Po/w	0.8
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.02 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	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.99

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