![CAS 29067-85-4 Tetrazolo[1,5-a]quinoxalin-4(5H)-one (8CI,9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/29067-85-4.gif)
CAS RN: 29067-85-4
Tetrazolo[1,5-a]quinoxalin-4(5H)-one (8CI,9CI)
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.20260401 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS29067-85-4
- Purity/Analytical Methods: >99.0%
29067-85-4 / 5H-tetrazolo[1,5-a]quinoxalin-4-one
Basic Information
CAS
29067-85-4
Multi CAS
Yes
Molecular Formula
C8H5N5O
Molecular Weight
187.160000
Exact Mass
187.049410
InChI
InChI=1S/C8H5N5O/c14-8-7-10-11-12-13(7)6-4-2-1-3-5(6)9-8/h1-4H,(H,9,14)
InChIKey
SECOVEPJEIBBPV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
13
H-bond acceptors
5
H-bond donors
1
Molar refractivity
48.91
TPSA
75.94
LogP / Solubility
WLOGP
-0.03
MLOGP
-0.03
XLogP3
0.5
Consensus LogP
0.15
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very 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)
-3.89
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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