CAS RN: 883539-33-1
(2-ETHYL-IMIDAZOL-1-YL)-ACETIC ACID
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.20250402 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS883539-33-1
- Purity/Analytical Methods: >99.0%
883539-33-1 / 2-(2-ethylimidazol-1-yl)acetic acid
Basic Information
CAS
883539-33-1
Multi CAS
No
Molecular Formula
C7H10N2O2
Molecular Weight
154.170000
Exact Mass
154.074228
InChI
InChI=1S/C7H10N2O2/c1-2-6-8-3-4-9(6)5-7(10)11/h3-4H,2,5H2,1H3,(H,10,11)
InChIKey
QIBUBNNYBJRUAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.24
TPSA
55.12
LogP / Solubility
WLOGP
0.53
MLOGP
0.46
XLogP3
0.5
Consensus LogP
0.5
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.28
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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