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CAS 2138439-12-8 4-((2-(2-aminoethoxy)ethyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione molecular structure lightbox
CAS RN: 2138439-12-8

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

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250713 1g Out of stock Inquiry
Batchno.20251201 250mg Out of stock Inquiry
  • Product code: SSC-102490
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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 2138439-12-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2138439-12-8 / 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Standard CAS: 2138439-12-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2138439-12-8
Multi CAS
No
Molecular Formula
C17H20N4O5
Molecular Weight
360.400000
Exact Mass
360.143370
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCN
InChI
InChI=1S/C17H20N4O5/c18-6-8-26-9-7-19-11-3-1-2-10-14(11)17(25)21(16(10)24)12-4-5-13(22)20-15(12)23/h1-3,12,19H,4-9,18H2,(H,20,22,23)
InChIKey
WEPAAESBMNSHJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.41
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
91.48
TPSA
130.83

LogP / Solubility

WLOGP
-0.52
MLOGP
-0.44
XLogP3
-0.2
Consensus LogP
-0.39
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
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)
-5.29

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
3

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