CAS RN: 573700-49-9
Succinimide, N-1,3-butadienyl-, trans- (7CI)
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.20260308 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS573700-49-9
- Purity/Analytical Methods: >99.0%
573700-49-9 / 1-[(1E)-buta-1,3-dienyl]pyrrolidine-2,5-dione
Basic Information
CAS
573700-49-9
Multi CAS
No
Molecular Formula
C8H9NO2
Molecular Weight
151.160000
Exact Mass
151.063329
InChI
InChI=1S/C8H9NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h2-3,6H,1,4-5H2/b6-3+
InChIKey
RWLJMKQXDUTHCU-ZZXKWVIFSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
40.42
TPSA
37.38
LogP / Solubility
WLOGP
0.84
MLOGP
0.73
XLogP3
0.3
Consensus LogP
0.62
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-3.05
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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