CAS RN: 57718-07-7
Monoethyl Itaconate
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock3 grade groups
- Product code: SSC-165910
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
57718-07-7 / 4-ethoxy-2-methylidene-4-oxobutanoic acid
Basic Information
CAS
57718-07-7
Multi CAS
Yes
Molecular Formula
C7H10O4
Molecular Weight
158.150000
Exact Mass
158.057909
InChI
InChI=1S/C7H10O4/c1-3-11-6(8)4-5(2)7(9)10/h2-4H2,1H3,(H,9,10)
InChIKey
RTTAGBVNSDJDTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.03
TPSA
63.6
LogP / Solubility
WLOGP
0.58
MLOGP
0.51
XLogP3
0.5
Consensus LogP
0.53
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-3.27
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
