Ethyl 4-amino-3-methoxybenzoate

Name: Ethyl 4-amino-3-methoxybenzoate
SKU: PI73368419
Rating: 5 (1 reviews)

Cat. No.: PI73368419

Product Details Other Identifiers Computed Properties

CAS	73368-41-9
Purity	97%
Molecular Formula	C10H13NO3
Linear Formula	CH3CH2OCOC6H3OCH3NH2
Molecular Weight	195.22
Molar Refractivity	53.42

Pubchem ID	11788808
InChI Key	DZXKUQHCFAKAJP-UHFFFAOYSA-N
MDL Number	MFCD14543019

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	4
Topological Polar Surface Area	61.55 Å²
Heavy Atom Count	14
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.3
Log Po/w (iLOGP)	2.2
Log Po/w (XLOGP3)	1.45
Log Po/w (WLOGP)	1.46
Log Po/w (MLOGP)	1.36
Log Po/w (SILICOS-IT)	1.35
Consensus Log Po/w	1.57
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.46 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	1.78

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