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CAS 785016-90-2 2-BROMO-4-(2,4,6-TRIMETHYLPHENYL)THIAZOLE molecular structure lightbox
CAS RN: 785016-90-2

2-BROMO-4-(2,4,6-TRIMETHYLPHENYL)THIAZOLE

  • Product code: SSC-187887
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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 785016-90-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

785016-90-2 / 2-bromo-4-(2,4,6-trimethylphenyl)-1,3-thiazole

Standard CAS: 785016-90-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
785016-90-2
Multi CAS
No
Molecular Formula
BC12H12RnS
Molecular Weight
282.200000
Exact Mass
280.987380
InChI
InChI=1S/C12H12BrNS/c1-7-4-8(2)11(9(3)5-7)10-6-15-12(13)14-10/h4-6H,1-3H3
InChIKey
WQUSTDDCQWKTPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
69.46
TPSA
12.89

LogP / Solubility

WLOGP
4.5
MLOGP
3.97
XLogP3
4.7
Consensus LogP
4.39
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
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)
-1.25

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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