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CAS 34576-98-2 5-BROMO-BENZO[B]THIOPHEN-4-OL molecular structure lightbox
CAS RN: 34576-98-2

5-BROMO-BENZO[B]THIOPHEN-4-OL

  • Product code: SSC-141062
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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: 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 34576-98-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

34576-98-2 / 5-bromo-1-benzothiophen-4-ol

Standard CAS: 34576-98-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34576-98-2
Multi CAS
No
Molecular Formula
C8H5BROS
Molecular Weight
229.100000
Exact Mass
227.924450
InChI
InChI=1S/C8H5BrOS/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-4,10H
InChIKey
RCWMLFOECUDVQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.19
TPSA
20.23

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
3.3
Consensus LogP
3.21
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

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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