![CAS 84331-01-1 1-[1,2,3,4]Tetraazolo[1,5-A]Pyridin-6-Yl-1-Ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/84331-01-1.gif)
CAS RN: 84331-01-1
1-[1,2,3,4]Tetraazolo[1,5-A]Pyridin-6-Yl-1-Ethanone
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.20250712 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS84331-01-1
- Purity/Analytical Methods: >99.0%
84331-01-1 / 1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone
Basic Information
CAS
84331-01-1
Multi CAS
No
Molecular Formula
C7H6N4O
Molecular Weight
162.150000
Exact Mass
162.054161
InChI
InChI=1S/C7H6N4O/c1-5(12)6-2-3-7-8-9-10-11(7)4-6/h2-4H,1H3
InChIKey
DDBLPTNLEVQANE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
40.79
TPSA
60.15
LogP / Solubility
WLOGP
0.33
MLOGP
0.28
XLogP3
-0.4
Consensus LogP
0.07
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
Class (SILICOS-IT)
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)
-3.48
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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