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CAS 51335-90-1 1-(5-(4-Chlorophenyl)thiophen-2-yl)ethanone molecular structure lightbox
CAS RN: 51335-90-1

1-(5-(4-Chlorophenyl)thiophen-2-yl)ethanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250919 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: LINC913752
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51335-90-1 / 1-[5-(4-chlorophenyl)thiophen-2-yl]ethanone

Standard CAS: 51335-90-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51335-90-1
Multi CAS
No
Molecular Formula
C12H9CLOS
Molecular Weight
236.720000
Exact Mass
236.006264
InChI
InChI=1S/C12H9ClOS/c1-8(14)11-6-7-12(15-11)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKey
HVTLXJWEZWEMHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.77
TPSA
17.07

LogP / Solubility

WLOGP
4.27
MLOGP
3.76
XLogP3
3.9
Consensus LogP
3.98
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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