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CAS 1849-71-4 2-Amino-4,5-dichlorobenzothiazole. molecular structure lightbox
CAS RN: 1849-71-4

2-Amino-4,5-dichlorobenzothiazole.

  • Product code: SSC-085454
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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, 5g
  • Available purity: >97%
  • 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 1849-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Shanghai Inquiry

1849-71-4 / 4,5-dichloro-1,3-benzothiazol-2-amine

Standard CAS: 1849-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1849-71-4
Multi CAS
No
Molecular Formula
C7H4Cl2N2S
Molecular Weight
219.090000
Exact Mass
217.947225
SMILES
C1=CC(=C(C2=C1SC(=N2)N)Cl)Cl
InChI
InChI=1S/C7H4Cl2N2S/c8-3-1-2-4-6(5(3)9)11-7(10)12-4/h1-2H,(H2,10,11)
InChIKey
GMOFXJZIUQGHTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.05
TPSA
38.91

LogP / Solubility

WLOGP
3.19
MLOGP
2.81
XLogP3
3.3
Consensus LogP
3.1
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.79

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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