CAS RN: 946598-39-6
5-(4-MORPHOLINYL)-2-PYRAZINECARBOXYLIC ACID
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.20250213 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS946598-39-6
- Purity/Analytical Methods: >99.0%
946598-39-6 / 5-morpholin-4-ylpyrazine-2-carboxylic acid
Basic Information
CAS
946598-39-6
Multi CAS
No
Molecular Formula
C9H11N3O3
Molecular Weight
209.200000
Exact Mass
209.080041
InChI
InChI=1S/C9H11N3O3/c13-9(14)7-5-11-8(6-10-7)12-1-3-15-4-2-12/h5-6H,1-4H2,(H,13,14)
InChIKey
QWVBKVJGGJEOMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
52.02
TPSA
75.55
LogP / Solubility
WLOGP
0.01
MLOGP
0.01
XLogP3
-0.3
Consensus LogP
-0.09
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
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)
-3.99
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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