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CAS 19654-14-9 2-(3-BROMOPHENYL)BENZO[D]THIAZOLE molecular structure lightbox
CAS RN: 19654-14-9

2-(3-BROMOPHENYL)BENZO[D]THIAZOLE

  • Product code: SSC-092813
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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, 0.25g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 19654-14-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
0.25g -- 4 In Stock Hong Kong Inquiry
0.25g ≥95% 4 In Stock Beijing Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry

19654-14-9 / 2-(3-bromophenyl)-1,3-benzothiazole

Standard CAS: 19654-14-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19654-14-9
Multi CAS
No
Molecular Formula
C13H8BrNS
Molecular Weight
290.180000
Exact Mass
288.956080
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)Br
InChI
InChI=1S/C13H8BrNS/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H
InChIKey
XCMGDNMMLIJSQA-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

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