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CAS 1427473-77-5 6-bromo-8-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3(2H)-thione molecular structure lightbox
CAS RN: 1427473-77-5

6-bromo-8-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3(2H)-thione

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260322 100mg Out of stock Inquiry
Batchno.20250509 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250410 1g Out of stock Inquiry
Batchno.20260315 250mg In stock Shenzhen, Tianjin Inquiry
  • Product code: starshine_CAS1427473-77-5
  • Purity/Analytical Methods: >99.0%
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1427473-77-5 / 6-bromo-8-fluoro-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione

Standard CAS: 1427473-77-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427473-77-5
Multi CAS
No
Molecular Formula
C6H3BrFN3S
Molecular Weight
248.080000
Exact Mass
246.921510
SMILES
C1=C(C2=NNC(=S)N2C=C1Br)F
InChI
InChI=1S/C6H3BrFN3S/c7-3-1-4(8)5-9-10-6(12)11(5)2-3/h1-2H,(H,10,12)
InChIKey
OLSZRGKXBRJGEH-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
48.03
TPSA
33.09

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
1.4
Consensus LogP
1.9
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
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)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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