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CAS 1427383-09-2 5-bromo-4-fluorobenzo[D]thiazol-2-amine molecular structure lightbox
CAS RN: 1427383-09-2

5-bromo-4-fluorobenzo[D]thiazol-2-amine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251212 25mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1427383-09-2
  • Purity/Analytical Methods: >99.0%
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1427383-09-2 / 5-bromo-4-fluoro-1,3-benzothiazol-2-amine

Standard CAS: 1427383-09-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427383-09-2
Multi CAS
No
Molecular Formula
C7H4BrFN2S
Molecular Weight
247.090000
Exact Mass
245.926260
SMILES
C1=CC(=C(C2=C1SC(=N2)N)F)Br
InChI
InChI=1S/C7H4BrFN2S/c8-3-1-2-4-6(5(3)9)11-7(10)12-4/h1-2H,(H2,10,11)
InChIKey
LWXCVPDDCLOKOO-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
51.69
TPSA
38.91

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.8
Consensus LogP
2.68
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-2.25

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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