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CAS 54535-00-1 (5,7-dimethyl-3H-8lambda~5~-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol molecular structure lightbox
CAS RN: 54535-00-1

(5,7-dimethyl-3H-8lambda~5~-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250815 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS54535-00-1
  • Purity/Analytical Methods: >99.0%
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54535-00-1 / (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol

Standard CAS: 54535-00-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54535-00-1
Multi CAS
No
Molecular Formula
C8H10N4O
Molecular Weight
178.190000
Exact Mass
178.085461
InChI
InChI=1S/C8H10N4O/c1-5-3-6(2)12-8(9-5)10-7(4-13)11-12/h3,13H,4H2,1-2H3
InChIKey
SHYHYVCNCNAWHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
46.18
TPSA
63.31

LogP / Solubility

WLOGP
0.23
MLOGP
0.2
Consensus LogP
0.14
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
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)
-3.64

Drug-likeness / Medicinal Chemistry

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

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