CAS RN: 698-43-1

2-Chloro-[1,2,4]triazolo[1,5-a]pyridine

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  • Product code: starshine_CAS698-43-1
  • Purity/Analytical Methods: >99.0%
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698-43-1 / 2-chloro-[1,2,4]triazolo[1,5-a]pyridine

Standard CAS: 698-43-1 Multi CAS: No

Basic Information

CAS
698-43-1
Multi CAS
No
Molecular Formula
C6H4CLN3
Molecular Weight
153.570000
Exact Mass
153.009375
InChI
InChI=1S/C6H4ClN3/c7-6-8-5-3-1-2-4-10(5)9-6/h1-4H
InChIKey
KAMDPUMKFZCZSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
38
TPSA
30.19

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
1.7
Consensus LogP
1.43
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.68

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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