(S)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine

Name: (S)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine
SKU: PI132335445
Rating: 5 (1 reviews)

Catalog NumberPI132335445

CAS Number132335-44-5

CategoryAntidepressants Intermediates

(S)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine

Product Details

Purity	95%
Molecular Formula	C9H15NOS
Molecular Weight	185.29
Molar Refractivity	52.57

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Other Identifiers

Pubchem ID	9964277
InChI Key	XWCNSHMHUZCRLN-QMMMGPOBSA-N
MDL Number	MFCD07782107

Computed Properties

Aromatic Heavy Atoms Number	5
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	1.61
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.56
Ghose	None
GI Absorption	High
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.59 cm/s
Log Po/w (iLOGP)	2.28
Log Po/w (MLOGP)	0.92
Log Po/w (SILICOS-IT)	2.27
Log Po/w (WLOGP)	1.41
Log Po/w (XLOGP3)	1.18
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	4
Synthetic Accessibility	2.6
Topological Polar Surface Area	51.71 Å²
Veber	0.0

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