CAS RN: 1125-56-0
3-amino-6-chloropyrazine-2-carboxamide
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.20250310 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1125-56-0
- Purity/Analytical Methods: >99.0%
1125-56-0 / 3-amino-6-chloropyrazine-2-carboxamide
3-Amino-6-chloropyrazine-2-carboxamide | MFCD05722610 | 3-amino-6-chloro-pyrazine-2-carboxamide
Basic Information
CAS
1125-56-0
Multi CAS
No
Molecular Formula
C5H5ClN4O
Molecular Weight
172.570000
Exact Mass
172.015189
SMILES
C1=C(N=C(C(=N1)N)C(=O)N)Cl
InChI
InChI=1S/C5H5ClN4O/c6-2-1-9-4(7)3(10-2)5(8)11/h1H,(H2,7,9)(H2,8,11)
InChIKey
YRLKALFVUYUKGQ-UHFFFAOYSA-N
Synonyms
3-Amino-6-chloropyrazine-2-carboxamide
MFCD05722610
3-amino-6-chloro-pyrazine-2-carboxamide
DTXSID80676904
AKOS015918307
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
39.97
TPSA
94.89
LogP / Solubility
WLOGP
-0.19
MLOGP
-0.17
XLogP3
0.2
Consensus LogP
-0.05
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
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)
-3.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
