![CAS 1360650-52-7 7-BROMO-2-FLUOROPYRROLO[2,1-F][1,2,4]TRIAZIN-4-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1360650-52-7.gif)
CAS RN: 1360650-52-7
7-BROMO-2-FLUOROPYRROLO[2,1-F][1,2,4]TRIAZIN-4-AMINE
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.20250925 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1360650-52-7
- Purity/Analytical Methods: >99.0%
1360650-52-7 / 7-bromo-2-fluoropyrrolo[2,1-f][1,2,4]triazin-4-amine
Basic Information
CAS
1360650-52-7
Multi CAS
No
Molecular Formula
C6H4BrFN4
Molecular Weight
231.030000
Exact Mass
229.960340
SMILES
C1=C2C(=NC(=NN2C(=C1)Br)F)N
InChI
InChI=1S/C6H4BrFN4/c7-4-2-1-3-5(9)10-6(8)11-12(3)4/h1-2H,(H2,9,10,11)
InChIKey
MDLCXCFFNSWYNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.06
TPSA
56.21
LogP / Solubility
WLOGP
1.21
MLOGP
1.07
XLogP3
1.5
Consensus LogP
1.26
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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