![CAS 1649478-38-5 6-Bromo-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1649478-38-5.gif)
CAS RN: 1649478-38-5
6-Bromo-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine
- Product code: SSC-072096
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1649478-38-5 / 6-bromo-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Basic Information
CAS
1649478-38-5
Multi CAS
No
Molecular Formula
C6H4BrFN4
Molecular Weight
231.030000
Exact Mass
229.960340
SMILES
C1=C(C2=NC(=NN2C=C1Br)N)F
InChI
InChI=1S/C6H4BrFN4/c7-3-1-4(8)5-10-6(9)11-12(5)2-3/h1-2H,(H2,9,11)
InChIKey
VSRZQZIHUHKKRB-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
1.2
Consensus LogP
1.16
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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