CAS RN: 495-98-7
3,6-Bis(2-methylpropyl)pyrazin-2(1H)-one
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.20250129 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS495-98-7
- Purity/Analytical Methods: >99.0%
495-98-7 / 3,6-bis(2-methylpropyl)-1H-pyrazin-2-one
Basic Information
CAS
495-98-7
Multi CAS
Yes
Molecular Formula
C12H20N2O
Molecular Weight
208.300000
Exact Mass
208.157563
InChI
InChI=1S/C12H20N2O/c1-8(2)5-10-7-13-11(6-9(3)4)12(15)14-10/h7-9H,5-6H2,1-4H3,(H,14,15)
InChIKey
UYYRKEKHAYEACU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.94
TPSA
45.75
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
2.1
Consensus LogP
2.06
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly 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)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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