CAS RN: 412277-94-2
Pyrazinecarboxamide, 5-(hydroxymethyl)- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260628 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS412277-94-2
- Purity/Analytical Methods: >99.0%
412277-94-2 / 5-(hydroxymethyl)pyrazine-2-carboxamide
Basic Information
CAS
412277-94-2
Multi CAS
Yes
Molecular Formula
C6H7N3O2
Molecular Weight
153.140000
Exact Mass
153.053826
InChI
InChI=1S/C6H7N3O2/c7-6(11)5-2-8-4(3-10)1-9-5/h1-2,10H,3H2,(H2,7,11)
InChIKey
MHGKQVAVEDQFPN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
36.47
TPSA
89.1
LogP / Solubility
WLOGP
-0.93
MLOGP
-0.83
XLogP3
-1.5
Consensus LogP
-1.09
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.14
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.12
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.32
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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![CAS 412278-24-1 Carbamic acid, [(3S,4R)-tetrahydro-4-hydroxy-3-furanyl]-, 1,1-dimethylethyl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/412278-24-1.gif)
