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CAS 886367-82-4 2-BROMO-4-(3-BROMO-PHENYL)-THIAZOLE molecular structure lightbox
CAS RN: 886367-82-4

2-BROMO-4-(3-BROMO-PHENYL)-THIAZOLE

  • Product code: SSC-199906
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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 886367-82-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

886367-82-4 / 2-bromo-4-(3-bromophenyl)-1,3-thiazole

Standard CAS: 886367-82-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886367-82-4
Multi CAS
No
Molecular Formula
C9H5BR2NS
Molecular Weight
319.020000
Exact Mass
318.848900
InChI
InChI=1S/C9H5Br2NS/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H
InChIKey
WXYVKXSAWLILLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62.95
TPSA
12.89

LogP / Solubility

WLOGP
4.34
MLOGP
3.83
XLogP3
4.3
Consensus LogP
4.16
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

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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