CAS RN: 62135-58-4

ethyl [1,2,4]triazolo[1,5-a]pyridine-2-carboxylate

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Batchno.20260517 100mg / 250mg Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS62135-58-4
  • Purity/Analytical Methods: >99.0%
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62135-58-4 / ethyl [1,2,4]triazolo[1,5-a]pyridine-2-carboxylate

Standard CAS: 62135-58-4 Multi CAS: Yes

Basic Information

CAS
62135-58-4
Multi CAS
Yes
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
InChI
InChI=1S/C9H9N3O2/c1-2-14-9(13)8-10-7-5-3-4-6-12(7)11-8/h3-6H,2H2,1H3
InChIKey
CCEWYZJHYQITGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
48.94
TPSA
56.49

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
1.3
Consensus LogP
1
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.24

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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