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CAS 22841-86-7 3,8-dichloro-[1,2,4]triazolo[4,3-a]pyridine molecular structure lightbox
CAS RN: 22841-86-7

3,8-dichloro-[1,2,4]triazolo[4,3-a]pyridine

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260526 100mg In stock Shanghai Inquiry
Batchno.20251002 1g In stock Shanghai Inquiry
Batchno.20260621 250mg In stock Shanghai Inquiry
Batchno.20250511 50mg In stock Shanghai Inquiry
Batchno.20250919 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS22841-86-7
  • Purity/Analytical Methods: >99.0%
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22841-86-7 / 3,8-dichloro-[1,2,4]triazolo[4,3-a]pyridine

Standard CAS: 22841-86-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22841-86-7
Multi CAS
No
Molecular Formula
C6H3Cl2N3
Molecular Weight
188.010000
Exact Mass
186.970403
SMILES
C1=CN2C(=NN=C2Cl)C(=C1)Cl
InChI
InChI=1S/C6H3Cl2N3/c7-4-2-1-3-11-5(4)9-10-6(11)8/h1-3H
InChIKey
ZSKDUIISOKVWTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
43.01
TPSA
30.19

LogP / Solubility

WLOGP
2.04
MLOGP
1.79
XLogP3
2.8
Consensus LogP
2.21
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.42

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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