CAS RN: 368833-95-8
1H-Imidazole-4-carboxaldehyde, 1,5-dimethyl- (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.20251025 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINH926850
368833-95-8 / 1,5-dimethylimidazole-4-carbaldehyde
Basic Information
CAS
368833-95-8
Multi CAS
No
Molecular Formula
C6H8N2O
Molecular Weight
124.140000
Exact Mass
124.063663
InChI
InChI=1S/C6H8N2O/c1-5-6(3-9)7-4-8(5)2/h3-4H,1-2H3
InChIKey
XLDAGVUDVRGWKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
33.33
TPSA
34.89
LogP / Solubility
WLOGP
0.54
MLOGP
0.47
XLogP3
0.2
Consensus LogP
0.4
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
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)
-3.09
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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