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CAS 87444-40-4 6-BROMOTHIAZOLO[5,4-B]PYRAZINE molecular structure lightbox
CAS RN: 87444-40-4

6-BROMOTHIAZOLO[5,4-B]PYRAZINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250129 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS87444-40-4
  • Purity/Analytical Methods: >99.0%
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87444-40-4 / 6-bromo-[1,3]thiazolo[4,5-b]pyrazine

Standard CAS: 87444-40-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87444-40-4
Multi CAS
No
Molecular Formula
BC5H2Rn3S
Molecular Weight
216.060000
Exact Mass
214.915280
InChI
InChI=1S/C5H2BrN3S/c6-3-1-7-4-5(9-3)10-2-8-4/h1-2H
InChIKey
CMLJPLSXFAXELV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
4
Molar refractivity
42.91
TPSA
38.67

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.9
Consensus LogP
1.79
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.73

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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