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CAS 93425-02-6 2-bromo-5-tert-butylthiophene molecular structure lightbox
CAS RN: 93425-02-6

2-bromo-5-tert-butylthiophene

  • Product code: SSC-207631
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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 93425-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

93425-02-6 / 2-bromo-5-tert-butylthiophene

Standard CAS: 93425-02-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
93425-02-6
Multi CAS
No
Molecular Formula
C8H11BRS
Molecular Weight
219.140000
Exact Mass
217.976480
InChI
InChI=1S/C8H11BrS/c1-8(2,3)6-4-5-7(9)10-6/h4-5H,1-3H3
InChIKey
HTEIRRKBIRSBIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
50.72
TPSA
28.2000

LogP / Solubility

WLOGP
3.81
MLOGP
3.35
XLogP3
4.3
Consensus LogP
3.82
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35

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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