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CAS 3622-40-0 2-BROMO-4-CHLOROBENZOTHIAZOLE molecular structure lightbox
CAS RN: 3622-40-0

2-BROMO-4-CHLOROBENZOTHIAZOLE

  • Product code: SSC-143389
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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: ＞97%
  • 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 3622-40-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

3622-40-0 / 2-bromo-4-chloro-1,3-benzothiazole

Standard CAS: 3622-40-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3622-40-0
Multi CAS
Yes
Molecular Formula
C7H3BRCLNS
Molecular Weight
248.530000
Exact Mass
246.885810
InChI
InChI=1S/C7H3BrClNS/c8-7-10-6-4(9)2-1-3-5(6)11-7/h1-3H
InChIKey
OYBFKJFWVAZRMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
52.33
TPSA
12.89

LogP / Solubility

WLOGP
3.71
MLOGP
3.27
XLogP3
4
Consensus LogP
3.66
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
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)
-1.6

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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