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CAS 24246-14-8 7-Bromo-benzo[c]isothiazole molecular structure lightbox
CAS RN: 24246-14-8

7-Bromo-benzo[c]isothiazole

  • Product code: SSC-118353
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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 24246-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Shanghai Inquiry

24246-14-8 / 7-bromo-2,1-benzothiazole

Standard CAS: 24246-14-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24246-14-8
Multi CAS
No
Molecular Formula
C7H4BrNS
Molecular Weight
214.080000
Exact Mass
212.924780
SMILES
C1=CC2=CSN=C2C(=C1)Br
InChI
InChI=1S/C7H4BrNS/c8-6-3-1-2-5-4-10-9-7(5)6/h1-4H
InChIKey
VRYOBBCFDBTBLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
47.32
TPSA
12.89

LogP / Solubility

WLOGP
3.06
MLOGP
2.69
XLogP3
3
Consensus LogP
2.92
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-1.85

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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