![CAS 1356016-44-8 ethyl pyrrolo[2,1-f][1,2,4]triazine-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1356016-44-8.gif)
CAS RN: 1356016-44-8
ethyl pyrrolo[2,1-f][1,2,4]triazine-7-carboxylate
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250909 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260311 | 1g | Out of stock | Inquiry | ||
| Batchno.20260508 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250315 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251030 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1356016-44-8
- Purity/Analytical Methods: >99.0%
1356016-44-8 / ethyl pyrrolo[2,1-f][1,2,4]triazine-7-carboxylate
Basic Information
CAS
1356016-44-8
Multi CAS
No
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
SMILES
CCOC(=O)C1=CC=C2N1N=CN=C2
InChI
InChI=1S/C9H9N3O2/c1-2-14-9(13)8-4-3-7-5-10-6-11-12(7)8/h3-6H,2H2,1H3
InChIKey
IZDNAOKQVDSBEB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
48.94
TPSA
56.49
LogP / Solubility
WLOGP
0.91
MLOGP
0.8
XLogP3
1
Consensus LogP
0.9
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.24
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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