![CAS 1823924-70-4 8-broMo-5-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12657126.gif)
CAS RN: 1823924-70-4
8-broMo-5-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260407 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1823924-70-4
- Purity/Analytical Methods: >99.0%
1823924-70-4 / 8-bromo-5-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Basic Information
CAS
1823924-70-4
Multi CAS
No
Molecular Formula
C7H2BrClN4
Molecular Weight
257.470000
Exact Mass
255.915140
SMILES
C1=C(C2=NN=CN2C(=C1C#N)Cl)Br
InChI
InChI=1S/C7H2BrClN4/c8-5-1-4(2-10)6(9)13-3-11-12-7(5)13/h1,3H
InChIKey
DWFBUDOZFLAQPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
H-bond acceptors
4
Molar refractivity
50.41
TPSA
53.98
LogP / Solubility
WLOGP
2.02
MLOGP
1.78
XLogP3
2.5
Consensus LogP
2.1
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.01
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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