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CAS RN: 30433-58-0
AKOS PAO-1121
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.20260326 | 100mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS30433-58-0
- Purity/Analytical Methods: >99.0%
30433-58-0 / 3-ethyl-1-methylpyrazole
Basic Information
CAS
30433-58-0
Multi CAS
No
Molecular Formula
C6H10N2
Molecular Weight
110.160000
Exact Mass
110.084398
InChI
InChI=1S/C6H10N2/c1-3-6-4-5-8(2)7-6/h4-5H,3H2,1-2H3
InChIKey
ZAXITHHHFYZUGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
32.59
TPSA
17.82
LogP / Solubility
WLOGP
0.98
MLOGP
0.85
XLogP3
1.1
Consensus LogP
0.98
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-2.69
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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