![CAS 40674-21-3 ethyl 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-2-methylpropionate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40674-21-3.gif)
CAS RN: 40674-21-3
ethyl 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-2-methylpropionate
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.20250505 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS40674-21-3
- Purity/Analytical Methods: >99.0%
40674-21-3 / ethyl 2-(1,3-dioxoisoindol-2-yl)oxy-2-methylpropanoate
Basic Information
CAS
40674-21-3
Multi CAS
No
Molecular Formula
C14H15NO5
Molecular Weight
277.270000
Exact Mass
277.095023
InChI
InChI=1S/C14H15NO5/c1-4-19-13(18)14(2,3)20-15-11(16)9-7-5-6-8-10(9)12(15)17/h5-8H,4H2,1-3H3
InChIKey
UNZUMKCIIIFEJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
68.74
TPSA
72.91
LogP / Solubility
WLOGP
1.56
MLOGP
1.38
XLogP3
1.8
Consensus LogP
1.58
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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