![CAS 1221714-51-7 4,6-Dichloropyrrolo[2,1-f][1,2,4]triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1221714-51-7.gif)
CAS RN: 1221714-51-7
4,6-Dichloropyrrolo[2,1-f][1,2,4]triazine
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.20250127 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1221714-51-7
- Purity/Analytical Methods: >99.0%
1221714-51-7 / 4,6-dichloropyrrolo[2,1-f][1,2,4]triazine
Basic Information
CAS
1221714-51-7
Multi CAS
No
Molecular Formula
C6H3Cl2N3
Molecular Weight
188.010000
Exact Mass
186.970403
SMILES
C1=C2C(=NC=NN2C=C1Cl)Cl
InChI
InChI=1S/C6H3Cl2N3/c7-4-1-5-6(8)9-3-10-11(5)2-4/h1-3H
InChIKey
MJGNAKMZKBUOLA-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
Consensus LogP
1.94
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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