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CAS 2093388-20-4 4-((3-aminopropyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione molecular structure lightbox
CAS RN: 2093388-20-4

4-((3-aminopropyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione

  • Product code: SSC-099160
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2093388-20-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2093388-20-4 / 4-(3-aminopropylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Standard CAS: 2093388-20-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2093388-20-4
Multi CAS
No
Molecular Formula
C16H18N4O4
Molecular Weight
330.340000
Exact Mass
330.132805
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCN
InChI
InChI=1S/C16H18N4O4/c17-7-2-8-18-10-4-1-3-9-13(10)16(24)20(15(9)23)11-5-6-12(21)19-14(11)22/h1,3-4,11,18H,2,5-8,17H2,(H,19,21,22)
InChIKey
GLENDMWZMABWHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
85.27
TPSA
121.6

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.12
XLogP3
0.3
Consensus LogP
0.01
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.84

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
3

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