CAS RN: 25212-88-8
2-Propenoic acid, 2-methyl-, polymer with ethyl 2-propenoate
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251023 | 500g | Out of stock | Inquiry |
- Product code: starshine_CAS25212-88-8
- Purity/Analytical Methods: >99.0%
25212-88-8 / ethyl prop-2-enoate;2-methylprop-2-enoic acid
Basic Information
CAS
25212-88-8
Multi CAS
No
Molecular Formula
C9H14O4
Molecular Weight
186.200000
Exact Mass
186.089209
SMILES
CCOC(=O)C=C.CC(=C)C(=O)O
InChI
InChI=1S/C5H8O2.C4H6O2/c1-3-5(6)7-4-2;1-3(2)4(5)6/h3H,1,4H2,2H3;1H2,2H3,(H,5,6)
InChIKey
GDCRSXZBSIRSFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.28
TPSA
63.6
LogP / Solubility
WLOGP
1.38
MLOGP
1.22
XLogP3
1.38
Consensus LogP
1.33
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately 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)
-2.87
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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