CAS RN: 76620-00-3
N-(4-ETHYLPHENYL)MALEIMIDE
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.20251110 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS76620-00-3
- Purity/Analytical Methods: >99.0%
76620-00-3 / 1-(4-ethylphenyl)pyrrole-2,5-dione
Basic Information
CAS
76620-00-3
Multi CAS
No
Molecular Formula
C12H11NO2
Molecular Weight
201.220000
Exact Mass
201.078979
InChI
InChI=1S/C12H11NO2/c1-2-9-3-5-10(6-4-9)13-11(14)7-8-12(13)15/h3-8H,2H2,1H3
InChIKey
FHVHFKZQDVQILM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
57.45
TPSA
37.38
LogP / Solubility
WLOGP
1.68
MLOGP
1.48
XLogP3
1.9
Consensus LogP
1.69
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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