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CAS 19654-19-4 2-(4-Bromophenyl)benzothiazole molecular structure lightbox
CAS RN: 19654-19-4

2-(4-Bromophenyl)benzothiazole

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250401 100g In stock Inquiry
Batchno.20250812 1g In stock Inquiry
Batchno.20250211 25g In stock Inquiry
Batchno.20251205 5g In stock Inquiry
  • Product code: SSC-092814
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g, 10g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 19654-19-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shanghai Inquiry
5g ≥98% 2 In Stock Beijing Inquiry
0.1g ≥98% 1 In Stock Beijing Inquiry
0.25g ≥98% 1 In Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Shenzhen Inquiry

19654-19-4 / 2-(4-bromophenyl)-1,3-benzothiazole

Standard CAS: 19654-19-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19654-19-4
Multi CAS
No
Molecular Formula
C13H8BrNS
Molecular Weight
290.180000
Exact Mass
288.956080
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C13H8BrNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
InChIKey
FQIRBKKYMJKENC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
72.76
TPSA
12.89

LogP / Solubility

WLOGP
4.73
MLOGP
4.17
XLogP3
5
Consensus LogP
4.63
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
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)
-1.13

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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