4-((2-Aminoethyl)(5-chlorobenzo[d]oxazol-2-yl)amino)butan-2-one dimethanesulfonate

Name: 4-((2-Aminoethyl)(5-chlorobenzo[d]oxazol-2-yl)amino)butan-2-one dimethanesulfonate
SKU: PI1276666126
Rating: 5 (1 reviews)

Cat. No.: PI1276666126

Product Details Other Identifiers Computed Properties

CAS	1276666-12-6
Purity	98%
Molecular Formula	C15H24ClN3O8S2
Molecular Weight	473.95
Molar Refractivity	110.28

Pubchem ID	53260160
InChI Key	OFKOSCAPTIAIEF-UHFFFAOYSA-N
MDL Number	MFCD22124909

Aromatic Heavy Atoms Number	9
BBB Permeant	No
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	1.1
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	1.0
Fraction Csp3	0.47
Ghose	None
GI Absorption	Low
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	10.0
Hydrogen Bond Donor Count	3.0
Leadlikeness	1.0
Lipinski	1.0
Log Kp (Skin Permeation)	-11.01 cm/s
Log Po/w (iLOGP)	2.41
Log Po/w (MLOGP)	0.08
Log Po/w (SILICOS-IT)	2.18
Log Po/w (WLOGP)	3.4
Log Po/w (XLOGP3)	-2.56
Muegge	2.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	6
Synthetic Accessibility	3.55
Topological Polar Surface Area	197.86 Å²
Veber	1.0

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