![CAS 621685-55-0 Pyrrolo[2,1-f][1,2,4]triazine-6-carboxaldehyde, 1,4-dihydro-5-methyl-4-oxo- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/621685-55-0.gif)
CAS RN: 621685-55-0
Pyrrolo[2,1-f][1,2,4]triazine-6-carboxaldehyde, 1,4-dihydro-5-methyl-4-oxo- (9CI)
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.20251020 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS621685-55-0
- Purity/Analytical Methods: >99.0%
621685-55-0 / 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carbaldehyde
Basic Information
CAS
621685-55-0
Multi CAS
Yes
Molecular Formula
C8H7N3O2
Molecular Weight
177.160000
Exact Mass
177.053826
InChI
InChI=1S/C8H7N3O2/c1-5-6(3-12)2-11-7(5)8(13)9-4-10-11/h2-4H,1H3,(H,9,10,13)
InChIKey
FYTAQELLHPZDAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.94
TPSA
67.23
LogP / Solubility
WLOGP
0.14
MLOGP
0.12
Consensus LogP
0.09
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
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)
-3.7
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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