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CAS 25074-25-3 Benzo[b]thiophen-4(5H)-one, 2-broMo-6,7-dihydro- molecular structure lightbox
CAS RN: 25074-25-3

Benzo[b]thiophen-4(5H)-one, 2-broMo-6,7-dihydro-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260608 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-120605
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 25074-25-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

25074-25-3 / 2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one

Standard CAS: 25074-25-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25074-25-3
Multi CAS
No
Molecular Formula
C8H7BrOS
Molecular Weight
231.110000
Exact Mass
229.940100
SMILES
C1CC2=C(C=C(S2)Br)C(=O)C1
InChI
InChI=1S/C8H7BrOS/c9-8-4-5-6(10)2-1-3-7(5)11-8/h4H,1-3H2
InChIKey
BUGYSMHCYWWVFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.38
H-bond acceptors
2
Molar refractivity
49.29
TPSA
17.07

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
2.8
Consensus LogP
2.83
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98

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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