![CAS 941716-89-8 3-[(6-Methylpyrazin-2-yl)oxy]benzylamine 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/941716-89-8.gif)
CAS RN: 941716-89-8
3-[(6-Methylpyrazin-2-yl)oxy]benzylamine 97%
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.20250401 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS941716-89-8
- Purity/Analytical Methods: >99.0%
941716-89-8 / [3-(6-methylpyrazin-2-yl)oxyphenyl]methanamine
Basic Information
CAS
941716-89-8
Multi CAS
No
Molecular Formula
C12H13N3O
Molecular Weight
215.250000
Exact Mass
215.105862
InChI
InChI=1S/C12H13N3O/c1-9-7-14-8-12(15-9)16-11-4-2-3-10(5-11)6-13/h2-5,7-8H,6,13H2,1H3
InChIKey
PJVRJIDLKXDROC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.18
TPSA
61.03
LogP / Solubility
WLOGP
2.04
MLOGP
1.79
XLogP3
0.9
Consensus LogP
1.58
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59
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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