Methyl 2-(2-hydroxy-4,5-dimethoxybenzamido)thiazole-4-carboxylate

Cat. No.: PI877997994

Product Details Other Identifiers Computed Properties

CAS	877997-99-4
Purity	97%
Molecular Formula	C14H14N2O6S
Molecular Weight	338.34
Molar Refractivity	82.61

Pubchem ID	86711696
InChI Key	KOPRMBXEMNEOOQ-UHFFFAOYSA-N
MDL Number	MFCD26127250

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	7.0
Rotatable Bond Count	7
Topological Polar Surface Area	135.22 Å²
Heavy Atom Count	23
Aromatic Heavy Atoms Number	11
Fraction Csp3	0.21
Log Po/w (iLOGP)	2.2
Log Po/w (XLOGP3)	2.45
Log Po/w (WLOGP)	1.71
Log Po/w (MLOGP)	-0.23
Log Po/w (SILICOS-IT)	2.27
Consensus Log Po/w	1.68
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.62 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	1.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.98

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