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CAS 21166-30-3 2-(4-BROMO-PHENYL)-THIAZOLE-4-CARBALDEHYDE molecular structure lightbox
CAS RN: 21166-30-3

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

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250318 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-101108
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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 21166-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

21166-30-3 / 2-(4-bromophenyl)-1,3-thiazole-4-carbaldehyde

Standard CAS: 21166-30-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21166-30-3
Multi CAS
No
Molecular Formula
C10H6BrNOS
Molecular Weight
268.130000
Exact Mass
266.935350
SMILES
C1=CC(=CC=C1C2=NC(=CS2)C=O)Br
InChI
InChI=1S/C10H6BrNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-6H
InChIKey
KOMFNSXHHNSAFR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
60.64
TPSA
29.96

LogP / Solubility

WLOGP
3.39
MLOGP
2.99
XLogP3
3.1
Consensus LogP
3.16
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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