1-Tosyl-1H-pyrrolo[2,3-b]pyridine

Name: 1-Tosyl-1H-pyrrolo[2,3-b]pyridine
SKU: PI348640028
Rating: 5 (1 reviews)

Cat. No.: PI348640028

Product Details Other Identifiers Computed Properties

CAS	348640-02-8
Purity	97%
Molecular Formula	C14H12N2O2S
Molecular Weight	272.32
Molar Refractivity	73.77

Pubchem ID	1479966
InChI Key	NSNZZTVUYQKEMX-UHFFFAOYSA-N
MDL Number	MFCD02083277

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	2
Topological Polar Surface Area	60.34 Å²
Heavy Atom Count	19
Aromatic Heavy Atoms Number	15
Fraction Csp3	0.07
Log Po/w (iLOGP)	2.14
Log Po/w (XLOGP3)	2.86
Log Po/w (WLOGP)	3.66
Log Po/w (MLOGP)	3.09
Log Po/w (SILICOS-IT)	1.77
Consensus Log Po/w	2.7
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.93 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.56

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