CAS RN: 28217-92-7
(cyclohexylmethyl)pyrazine
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.20250617 | 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS28217-92-7
- Purity/Analytical Methods: >99.0%
28217-92-7 / 2-(cyclohexylmethyl)pyrazine
Basic Information
CAS
28217-92-7
Multi CAS
Yes
Molecular Formula
C11H16N2
Molecular Weight
176.260000
Exact Mass
176.131349
InChI
InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h6-7,9-10H,1-5,8H2
InChIKey
DGJZDAIWCSVZBI-UHFFFAOYSA-N
Physical Properties
Boiling Point
100.00 °C. @ 4.00 mm Hg
Density
1.003-1.009
Physical Description
pale amber liquid with a nutty, musty odour
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
52.31
TPSA
25.78
LogP / Solubility
WLOGP
2.6
MLOGP
2.28
XLogP3
2.9
Consensus LogP
2.59
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-1.95
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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