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CAS 75288-49-2 7-BROMO-2-METHYLBENZO[B]THIOPHENE molecular structure lightbox
CAS RN: 75288-49-2

7-BROMO-2-METHYLBENZO[B]THIOPHENE

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260111 100mg In stock Shanghai Inquiry
Batchno.20250317 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250723 1g In stock Shanghai Inquiry
Batchno.20251117 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS75288-49-2
  • Purity/Analytical Methods: >99.0%
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75288-49-2 / 7-bromo-2-methyl-1-benzothiophene

Standard CAS: 75288-49-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75288-49-2
Multi CAS
No
Molecular Formula
C9H7BRS
Molecular Weight
227.120000
Exact Mass
225.945180
InChI
InChI=1S/C9H7BrS/c1-6-5-7-3-2-4-8(10)9(7)11-6/h2-5H,1H3
InChIKey
XFHOPSWPWLPVBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
1
Molar refractivity
54.26
TPSA
28.2000

LogP / Solubility

WLOGP
3.97
MLOGP
3.5
XLogP3
4
Consensus LogP
3.82
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
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)
-1.29

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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