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: 1g, 5g, 10g, 25g, 100g, 1000g
- Available purity: >95%
- Inventory rows with stock: 10
- 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 |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | >95% | 5 In Stock | Shanghai | Inquiry |
| 10g | -- | 5 In Stock | Shanghai | Inquiry |
| 10g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | -- | 5 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 100g | -- | 4 In Stock | Beijing | Inquiry |
| 100g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Hong Kong | Inquiry |
6192-01-4 / 3-ethoxyprop-2-enoic acid
Basic Information
CAS
6192-01-4
Multi CAS
Yes
Molecular Formula
C5H8O3
Molecular Weight
116.110000
Exact Mass
116.047344
InChI
InChI=1S/C5H8O3/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
InChIKey
SYMAGJYJMLUEQE-ONEGZZNKSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.4
TPSA
46.53
LogP / Solubility
WLOGP
0.62
MLOGP
0.54
XLogP3
0.4
Consensus LogP
0.52
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.29
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)
-2.99
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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