Methyl tetrahydro-2H-pyran-4-carboxylate

Name: Methyl tetrahydro-2H-pyran-4-carboxylate
SKU: PI110238910
Rating: 5 (1 reviews)

Catalog NumberPI110238910

CAS Number110238-91-0

CategoryGastrointestinal Agents Intermediates

Methyl tetrahydro-2H-pyran-4-carboxylate

Product Details

Purity	98%
Molecular Formula	C7H12O3
Molecular Weight	144.17
Molar Refractivity	36.02

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Other Identifiers

Pubchem ID	2773520
InChI Key	CNCMVGXVKBJYNU-UHFFFAOYSA-N
MDL Number	MFCD01075170

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	0.91
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.86
Ghose	None
GI Absorption	High
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.87 cm/s
Log Po/w (iLOGP)	1.97
Log Po/w (MLOGP)	0.35
Log Po/w (SILICOS-IT)	1.22
Log Po/w (WLOGP)	0.59
Log Po/w (XLOGP3)	0.43
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	1.91
Topological Polar Surface Area	35.53 Å²
Veber	0.0

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