CAS RN: 1159820-93-5
5-(tert-Butyl)-2-hydroxypyrazine
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.20251017 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1159820-93-5
- Purity/Analytical Methods: >99.0%
1159820-93-5 / 5-tert-butyl-1H-pyrazin-2-one
5-TERT-BUTYLPYRAZIN-2-OL | 5-(tert-Butyl)pyrazin-2-ol | 5-tert-butyl-1H-pyrazin-2-one
Basic Information
CAS
1159820-93-5
Multi CAS
No
Molecular Formula
C8H12N2O
Molecular Weight
152.190000
Exact Mass
152.094963
SMILES
CC(C)(C)C1=CNC(=O)C=N1
InChI
InChI=1S/C8H12N2O/c1-8(2,3)6-4-10-7(11)5-9-6/h4-5H,1-3H3,(H,10,11)
InChIKey
VSGOWVLOLUGUKJ-UHFFFAOYSA-N
Synonyms
5-TERT-BUTYLPYRAZIN-2-OL
5-(tert-Butyl)pyrazin-2-ol
5-tert-butyl-1H-pyrazin-2-one
5-tert-Butyl-pyrazin-2-ol
MFCD12032729
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.56
TPSA
45.75
LogP / Solubility
WLOGP
1.07
MLOGP
0.93
XLogP3
1
Consensus LogP
1
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-2.89
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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