CAS RN: 827588-62-5
1H-Imidazole-2-carboxamide,4-amino-1-methyl-(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.20251110 | 25mg / 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS827588-62-5
- Purity/Analytical Methods: >99.0%
827588-62-5 / 4-amino-1-methylimidazole-2-carboxamide
Basic Information
CAS
827588-62-5
Multi CAS
No
Molecular Formula
C5H8N4O
Molecular Weight
140.140000
Exact Mass
140.069811
InChI
InChI=1S/C5H8N4O/c1-9-2-3(6)8-5(9)4(7)10/h2H,6H2,1H3,(H2,7,10)
InChIKey
HXTHSKQFRDUYEK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
36.14
TPSA
86.93
LogP / Solubility
WLOGP
-0.9
MLOGP
-0.8
XLogP3
-1.1
Consensus LogP
-0.93
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.06
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.06
Class (SILICOS-IT)
Highly 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)
-4.21
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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