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CAS 199538-83-5 6-broMothiazolo[5,4-b]pyridin-2(1H)-one molecular structure lightbox
CAS RN: 199538-83-5

6-broMothiazolo[5,4-b]pyridin-2(1H)-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260610 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS199538-83-5
  • Purity/Analytical Methods: >99.0%
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199538-83-5 / 6-bromo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one

Standard CAS: 199538-83-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199538-83-5
Multi CAS
No
Molecular Formula
C6H3BrN2OS
Molecular Weight
231.070000
Exact Mass
229.914950
SMILES
C1=C(C=NC2=C1NC(=O)S2)Br
InChI
InChI=1S/C6H3BrN2OS/c7-3-1-4-5(8-2-3)11-6(10)9-4/h1-2H,(H,9,10)
InChIKey
AREYEENXOSVVDY-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
47.94
TPSA
45.75

LogP / Solubility

WLOGP
1.75
MLOGP
1.54
XLogP3
1.6
Consensus LogP
1.63
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

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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