![CAS 501358-54-9 4,6-dichloro-3H-[1,2,3]triazolo[4,5-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/501358-54-9.gif)
CAS RN: 501358-54-9
4,6-dichloro-3H-[1,2,3]triazolo[4,5-c]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250724 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS501358-54-9
- Purity/Analytical Methods: >99.0%
501358-54-9 / 4,6-dichloro-2H-triazolo[4,5-c]pyridine
Basic Information
CAS
501358-54-9
Multi CAS
No
Molecular Formula
C5H2CL2N4
Molecular Weight
189.000000
Exact Mass
187.965652
InChI
InChI=1S/C5H2Cl2N4/c6-3-1-2-4(5(7)8-3)10-11-9-2/h1H,(H,9,10,11)
InChIKey
MXJUTAKFQQTRDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.7
TPSA
54.46
LogP / Solubility
WLOGP
1.66
MLOGP
1.46
XLogP3
1.9
Consensus LogP
1.67
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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