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CAS 412923-63-8 2-BROMO-4-[4-(1,1-DIMETHYLETHYL)PHENYL]THIAZOLE molecular structure lightbox
CAS RN: 412923-63-8

2-BROMO-4-[4-(1,1-DIMETHYLETHYL)PHENYL]THIAZOLE

  • Product code: SSC-149748
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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 412923-63-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

412923-63-8 / 2-bromo-4-(4-tert-butylphenyl)-1,3-thiazole

Standard CAS: 412923-63-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
412923-63-8
Multi CAS
No
Molecular Formula
BC13H14RnS
Molecular Weight
296.230000
Exact Mass
295.003030
InChI
InChI=1S/C13H14BrNS/c1-13(2,3)10-6-4-9(5-7-10)11-8-16-12(14)15-11/h4-8H,1-3H3
InChIKey
AUSSRDAGGARDIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
73.95
TPSA
12.89

LogP / Solubility

WLOGP
4.87
MLOGP
4.3
XLogP3
5.3
Consensus LogP
4.82
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
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)
-1.07

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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