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CAS 412923-62-7 2-BROMO-4-(2-CHLOROPHENYL)THIAZOLE molecular structure lightbox
CAS RN: 412923-62-7

2-BROMO-4-(2-CHLOROPHENYL)THIAZOLE

  • Product code: SSC-149747
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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 412923-62-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

412923-62-7 / 2-bromo-4-(2-chlorophenyl)-1,3-thiazole

Standard CAS: 412923-62-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
412923-62-7
Multi CAS
No
Molecular Formula
C9H5BRCLNS
Molecular Weight
274.570000
Exact Mass
272.901460
InChI
InChI=1S/C9H5BrClNS/c10-9-12-8(5-13-9)6-3-1-2-4-7(6)11/h1-5H
InChIKey
XDDFSGQCTAMHGZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
60.26
TPSA
12.89

LogP / Solubility

WLOGP
4.23
MLOGP
3.73
XLogP3
4.3
Consensus LogP
4.09
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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)
-1.39

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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