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CAS 51646-17-4 5,7-DIMETHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YLHYDROSULFIDE molecular structure lightbox
CAS RN: 51646-17-4

5,7-DIMETHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YLHYDROSULFIDE

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260607 1g In stock Inquiry
Batchno.20250601 250mg In stock Inquiry
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Batchno.20250817 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS51646-17-4
  • Purity/Analytical Methods: >99.0%
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51646-17-4 / 5,7-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione

Standard CAS: 51646-17-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51646-17-4
Multi CAS
Yes
Molecular Formula
C7H8N4S
Molecular Weight
180.230000
Exact Mass
180.046967
InChI
InChI=1S/C7H8N4S/c1-4-3-5(2)11-6(8-4)9-7(12)10-11/h3H,1-2H3,(H,10,12)
InChIKey
PZXUJTDXOFHNKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.29
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.65
TPSA
45.98

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
0.4
Consensus LogP
1.01
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

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

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