2-[3-(Dimethylamino)propionyl]thiophene Hydrochloride

Name: 2-[3-(Dimethylamino)propionyl]thiophene Hydrochloride
SKU: PI5424475
Rating: 5 (1 reviews)

Catalog NumberPI5424475

CAS Number5424-47-5

CategoryAntidepressants Intermediates

2-[3-(Dimethylamino)propionyl]thiophene Hydrochloride

Product Details

Purity	98%
Molecular Formula	C9H14ClNOS
Molecular Weight	219.73
Molar Refractivity	58.8

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Other Identifiers

Pubchem ID	2876891
InChI Key	HPVHJPMLORARSR-UHFFFAOYSA-N
MDL Number	MFCD00126349

Computed Properties

Aromatic Heavy Atoms Number	5
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	1.53
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.44
Ghose	None
GI Absorption	High
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.75 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	1.13
Log Po/w (SILICOS-IT)	2.59
Log Po/w (WLOGP)	2.68
Log Po/w (XLOGP3)	1.26
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	4
Synthetic Accessibility	2.13
Topological Polar Surface Area	48.55 Å²
Veber	0.0

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