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CAS 1260385-62-3 2-Bromobenzo[d]thiazol-4-ol molecular structure lightbox
CAS RN: 1260385-62-3

2-Bromobenzo[d]thiazol-4-ol

  • Product code: SSC-031586
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 1260385-62-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Beijing Inquiry

1260385-62-3 / 2-bromo-1,3-benzothiazol-4-ol

Standard CAS: 1260385-62-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260385-62-3
Multi CAS
No
Molecular Formula
C7H4BrNOS
Molecular Weight
230.080000
Exact Mass
228.919700
SMILES
C1=CC(=C2C(=C1)SC(=N2)Br)O
InChI
InChI=1S/C7H4BrNOS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3,10H
InChIKey
OVTAINLQDIHKSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.98
TPSA
33.12

LogP / Solubility

WLOGP
2.76
MLOGP
2.44
XLogP3
3
Consensus LogP
2.73
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly 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)
-2.16

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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