Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 1g, 0.25g, 5g, 10g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
54980-96-0 / 2-(2-ethylbenzimidazol-1-yl)acetic acid
Basic Information
CAS
54980-96-0
Multi CAS
No
Molecular Formula
C11H12N2O2
Molecular Weight
204.220000
Exact Mass
204.089878
InChI
InChI=1S/C11H12N2O2/c1-2-10-12-8-5-3-4-6-9(8)13(10)7-11(14)15/h3-6H,2,7H2,1H3,(H,14,15)
InChIKey
AIOOJAWBQBWGRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.75
TPSA
55.12
LogP / Solubility
WLOGP
1.68
MLOGP
1.48
XLogP3
2
Consensus LogP
1.72
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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