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CAS 873075-54-8 2-BROMO-4-(1,1-DIMETHYLETHYL)THIAZOLE molecular structure lightbox
CAS RN: 873075-54-8

2-BROMO-4-(1,1-DIMETHYLETHYL)THIAZOLE

  • Product code: SSC-197128
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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: 5g
  • Available purity: ≥97%
  • 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 873075-54-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

873075-54-8 / 2-bromo-4-tert-butyl-1,3-thiazole

Standard CAS: 873075-54-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
873075-54-8
Multi CAS
No
Molecular Formula
BC7H10RnS
Molecular Weight
220.130000
Exact Mass
218.971730
InChI
InChI=1S/C7H10BrNS/c1-7(2,3)5-4-10-6(8)9-5/h4H,1-3H3
InChIKey
ILKZEOZQPGBUCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.51
TPSA
12.89

LogP / Solubility

WLOGP
3.2
MLOGP
2.82
XLogP3
3.7
Consensus LogP
3.24
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-1.79

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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