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CAS 51868-95-2 1-BENZO[B]THIOPHEN-2-YL-ETHANOL molecular structure lightbox
CAS RN: 51868-95-2

1-BENZO[B]THIOPHEN-2-YL-ETHANOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250424 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS51868-95-2
  • Purity/Analytical Methods: >99.0%
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51868-95-2 / 2-(1-benzothiophen-2-yl)ethanol

Standard CAS: 51868-95-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51868-95-2
Multi CAS
Yes
Molecular Formula
C10H10OS
Molecular Weight
178.250000
Exact Mass
178.045236
InChI
InChI=1S/C10H10OS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7,11H,1H3
InChIKey
UEPZZRRTVYYLEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.61
TPSA
20.23

LogP / Solubility

WLOGP
2.44
MLOGP
2.14
XLogP3
2.6
Consensus LogP
2.39
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

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

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