CAS RN: 874114-34-8
Pyrazinecarboxaldehyde, 6-chloro-
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.20250412 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS874114-34-8
- Purity/Analytical Methods: >99.0%
874114-34-8 / 6-chloropyrazine-2-carbaldehyde
Basic Information
CAS
874114-34-8
Multi CAS
No
Molecular Formula
C5H3CLN2O
Molecular Weight
142.540000
Exact Mass
141.993390
InChI
InChI=1S/C5H3ClN2O/c6-5-2-7-1-4(3-9)8-5/h1-3H
InChIKey
NWLIHAPBHUZMAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
32.43
TPSA
42.85
LogP / Solubility
WLOGP
0.94
MLOGP
0.82
XLogP3
0.5
Consensus LogP
0.75
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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