2-Acetyl-4-chlorothiophene

Name: 2-Acetyl-4-chlorothiophene
SKU: PI34730206
Rating: 5 (1 reviews)

Cat. No.: PI34730206

Product Details Other Identifiers Computed Properties

CAS	34730-20-6
Synonyms	1-(4-Chlorothiophen-2-yl)ethanone
Purity	97%
Molecular Formula	C6H5ClOS
Molecular Weight	160.62
Molar Refractivity	39.52

Pubchem ID	11105655
InChI Key	FKESGQASARHBDC-UHFFFAOYSA-N
MDL Number	MFCD00082791

Aromatic Heavy Atoms Number	5
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.31
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.17
Ghose	None
GI Absorption	High
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.68 cm/s
Log Po/w (iLOGP)	1.85
Log Po/w (MLOGP)	1.37
Log Po/w (SILICOS-IT)	3.46
Log Po/w (WLOGP)	2.6
Log Po/w (XLOGP3)	2.25
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	1
Synthetic Accessibility	2.35
Topological Polar Surface Area	45.31 Å²
Veber	0.0

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