CAS RN: 148673-71-6
Pyrazinecarbonyl chloride, 6-chloro- (9CI)
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.20260217 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS148673-71-6
- Purity/Analytical Methods: >99.0%
148673-71-6 / 6-chloropyrazine-2-carbonyl chloride
Basic Information
CAS
148673-71-6
Multi CAS
No
Molecular Formula
C5H2Cl2N2O
Molecular Weight
176.990000
Exact Mass
175.954418
SMILES
C1=C(N=C(C=N1)Cl)C(=O)Cl
InChI
InChI=1S/C5H2Cl2N2O/c6-4-2-8-1-3(9-4)5(7)10/h1-2H
InChIKey
UHYKRNKLQNXGDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.23
TPSA
42.85
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
1.9
Consensus LogP
1.58
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately 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)
-2.73
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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