![CAS 1363381-36-5 5-Bromo-pyrrolo[2,1-f][1,2,4]triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1363381-36-5.gif)
CAS RN: 1363381-36-5
5-Bromo-pyrrolo[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.20250619 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1363381-36-5
- Purity/Analytical Methods: >99.0%
1363381-36-5 / 5-bromopyrrolo[2,1-f][1,2,4]triazine
Basic Information
CAS
1363381-36-5
Multi CAS
No
Molecular Formula
C6H4BrN3
Molecular Weight
198.020000
Exact Mass
196.958860
SMILES
C1=CN2C(=C1Br)C=NC=N2
InChI
InChI=1S/C6H4BrN3/c7-5-1-2-10-6(5)3-8-4-9-10/h1-4H
InChIKey
UHGYITTVLZNRNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
40.69
TPSA
30.19
LogP / Solubility
WLOGP
1.49
MLOGP
1.31
XLogP3
1.1
Consensus LogP
1.3
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-2.87
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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