CAS RN: 71759-92-7
5-ETHYNYL-1-METHYL-1H-IMIDAZOLE 97
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250514 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS71759-92-7
- Purity/Analytical Methods: >99.0%
71759-92-7 / 5-ethynyl-1-methylimidazole
Basic Information
CAS
71759-92-7
Multi CAS
No
Molecular Formula
C6H6N2
Molecular Weight
106.130000
Exact Mass
106.053098
InChI
InChI=1S/C6H6N2/c1-3-6-4-7-5-8(6)2/h1,4-5H,2H3
InChIKey
JFOSWQQRTHDTGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
31.14
TPSA
17.82
LogP / Solubility
WLOGP
0.4
MLOGP
0.34
XLogP3
0.3
Consensus LogP
0.35
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
Class (SILICOS-IT)
Very 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)
-3.08
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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