CAS RN: 86027-00-1
4,5-DiMethyl-1H-iMidazole forMate
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.20251104 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS86027-00-1
- Purity/Analytical Methods: >99.0%
86027-00-1 / 4,5-dimethyl-1H-imidazole;formic acid
Basic Information
CAS
86027-00-1
Multi CAS
Yes
Molecular Formula
C6H10N2O2
Molecular Weight
142.160000
Exact Mass
142.074228
InChI
InChI=1S/C5H8N2.CH2O2/c1-4-5(2)7-3-6-4;2-1-3/h3H,1-2H3,(H,6,7);1H,(H,2,3)
InChIKey
GSPFRBUPJBNHHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.75
TPSA
65.98
LogP / Solubility
WLOGP
0.73
MLOGP
0.63
XLogP3
0.73
Consensus LogP
0.7
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-3.07
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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