CAS RN: 287390-25-4
(E)-3-ethoxy-3-oxoprop-1-en-1-olate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260219 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS287390-25-4
- Purity/Analytical Methods: >99.0%
287390-25-4 / sodium (E)-3-ethoxy-3-oxoprop-1-en-1-olate
Basic Information
CAS
287390-25-4
Multi CAS
No
Molecular Formula
C5H7NaO3
Molecular Weight
138.100000
Exact Mass
138.029288
InChI
InChI=1S/C5H8O3.Na/c1-2-8-5(7)3-4-6;/h3-4,6H,2H2,1H3;/q;+1/p-1/b4-3+;
InChIKey
ITWVTNYFGKFDGE-BJILWQEISA-M
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
25.77
TPSA
49.36
LogP / Solubility
WLOGP
-3.57
MLOGP
-3.15
XLogP3
-3.57
Consensus LogP
-3.43
Log S (ESOL)
1.69
Class (ESOL)
Highly soluble
Log S (Ali)
1.89
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.17
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.1
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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