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: 1g, 0.25g, 0.1g, 5g, 25g, 100g, 10g
- Available purity: >80%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 617-37-8
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 1g |
>80% |
5
In Stock
|
Hong Kong |
Inquiry |
| 0.25g |
>80% |
4
In Stock
|
Shenzhen |
Inquiry |
| 0.1g |
>80% |
2
In Stock
|
Beijing |
Inquiry |
| 5g |
>80% |
2
In Stock
|
Shenzhen |
Inquiry |
| 25g |
>80% |
2
In Stock
|
Shenzhen |
Inquiry |
| 100g |
>80% |
1
In Stock
|
Hong Kong |
Inquiry |
| 10g |
>80% |
0
Out of Stock
|
Shenzhen |
Inquiry |
617-37-8 / 2-ethoxy-2-oxoacetic acid
Standard CAS: 617-37-8
Multi CAS: Yes
Basic Information
CAS
617-37-8
Multi CAS
Yes
Molecular Formula
C4H6O4
Molecular Weight
118.090000
Exact Mass
118.026609
InChI
InChI=1S/C4H6O4/c1-2-8-4(7)3(5)6/h2H2,1H3,(H,5,6)
InChIKey
JRMAQQQTXDJDNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
24.27
TPSA
63.6
LogP / Solubility
WLOGP
-0.37
MLOGP
-0.33
XLogP3
0.4
Consensus LogP
-0.1
Log S (ESOL)
-0.28
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
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)
-3.7
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