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CAS 97978-07-9 Benzo[b]thien-2-yl Ketone molecular structure lightbox
CAS RN: 97978-07-9

Benzo[b]thien-2-yl Ketone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS97978-07-9
  • Purity/Analytical Methods: >99.0%
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97978-07-9 / bis(1-benzothiophen-2-yl)methanone

Standard CAS: 97978-07-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97978-07-9
Multi CAS
No
Molecular Formula
C17H10OS2
Molecular Weight
294.400000
Exact Mass
294.017307
InChI
InChI=1S/C17H10OS2/c18-17(15-9-11-5-1-3-7-13(11)19-15)16-10-12-6-2-4-8-14(12)20-16/h1-10H
InChIKey
XGEOFOPAAWHTSM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
87.08
TPSA
17.07

LogP / Solubility

WLOGP
5.35
MLOGP
4.72
XLogP3
6
Consensus LogP
5.36
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.25
Class (SILICOS-IT)
Insoluble

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)
-0.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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