CAS RN: 133123-67-8
1H-Imidazole-4,5-dicarbonitrile, 1-ethyl-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250822 | 10g | In stock | Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20260113 | 1g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250928 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260701 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251130 | 5g / 10g / 25g / 250g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS133123-67-8
- Purity/Analytical Methods: >99.0%
133123-67-8 / 1-ethylimidazole-4,5-dicarbonitrile
Basic Information
CAS
133123-67-8
Multi CAS
No
Molecular Formula
C7H6N4
Molecular Weight
146.150000
Exact Mass
146.059246
SMILES
CCN1C=NC(=C1C#N)C#N
InChI
InChI=1S/C7H6N4/c1-2-11-5-10-6(3-8)7(11)4-9/h5H,2H2,1H3
InChIKey
RAFSTXGDSLCINC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
37.33
TPSA
65.4
LogP / Solubility
WLOGP
0.65
MLOGP
0.56
XLogP3
0.4
Consensus LogP
0.54
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
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)
-3.15
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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