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CAS 7342-85-0 2-CHLOROBENZO[B]THIOPHENE molecular structure lightbox
CAS RN: 7342-85-0

2-CHLOROBENZO[B]THIOPHENE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251128 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS7342-85-0
  • Purity/Analytical Methods: >99.0%
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7342-85-0 / 2-chloro-1-benzothiophene

Standard CAS: 7342-85-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7342-85-0
Multi CAS
No
Molecular Formula
C8H5CLS
Molecular Weight
168.640000
Exact Mass
167.980049
InChI
InChI=1S/C8H5ClS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H
InChIKey
CPYLFALFYKCLRI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
1
Molar refractivity
46.84
TPSA
28.2000

LogP / Solubility

WLOGP
3.55
MLOGP
3.12
XLogP3
3.9
Consensus LogP
3.52
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-1.22

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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