![CAS 2360527-40-6 Acetamide, N-(5-aminopentyl)-2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2360527-40-6.gif)
CAS RN: 2360527-40-6
Acetamide, N-(5-aminopentyl)-2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]-
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS2360527-40-6
- Purity/Analytical Methods: >99.0%
2360527-40-6 / N-(5-aminopentyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
Basic Information
CAS
2360527-40-6
Multi CAS
No
Molecular Formula
C20H24N4O6
Molecular Weight
416.400000
Exact Mass
416.169585
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCCCCN
InChI
InChI=1S/C20H24N4O6/c21-9-2-1-3-10-22-16(26)11-30-14-6-4-5-12-17(14)20(29)24(19(12)28)13-7-8-15(25)23-18(13)27/h4-6,13H,1-3,7-11,21H2,(H,22,26)(H,23,25,27)
InChIKey
FFKSOQQBPAILQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
3
Molar refractivity
104.52
TPSA
147.9
LogP / Solubility
WLOGP
-0.29
MLOGP
-0.23
XLogP3
-0.4
Consensus LogP
-0.31
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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