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CAS 2155876-04-1 8-Chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine molecular structure lightbox
CAS RN: 2155876-04-1

8-Chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250118 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2155876-04-1
  • Purity/Analytical Methods: >99.0%
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2155876-04-1 / 8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

Standard CAS: 2155876-04-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2155876-04-1
Multi CAS
No
Molecular Formula
C7H6ClN3
Molecular Weight
167.590000
Exact Mass
167.025025
SMILES
CC1=CN2C(=NC=N2)C(=C1)Cl
InChI
InChI=1S/C7H6ClN3/c1-5-2-6(8)7-9-4-10-11(7)3-5/h2-4H,1H3
InChIKey
FQQMARHXKPJDPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
42.73
TPSA
30.19

LogP / Solubility

WLOGP
1.69
MLOGP
1.48
XLogP3
1.7
Consensus LogP
1.62
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

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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