![CAS 1428532-79-9 6-Bromo-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1428532-79-9.gif)
CAS RN: 1428532-79-9
6-Bromo-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260207 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1428532-79-9
- Purity/Analytical Methods: >99.0%
1428532-79-9 / 6-bromo-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
Basic Information
CAS
1428532-79-9
Multi CAS
No
Molecular Formula
C7H4BrF2N3
Molecular Weight
248.030000
Exact Mass
246.955670
SMILES
C1=CC2=NN=C(N2C=C1Br)C(F)F
InChI
InChI=1S/C7H4BrF2N3/c8-4-1-2-5-11-12-7(6(9)10)13(5)3-4/h1-3,6H
InChIKey
QYLYGCWLDHOLAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45.64
TPSA
30.19
LogP / Solubility
WLOGP
2.43
MLOGP
2.14
XLogP3
2.5
Consensus LogP
2.36
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
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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