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CAS 1957235-66-3 4-[(2-Aminoethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione HCl molecular structure lightbox
CAS RN: 1957235-66-3

4-[(2-Aminoethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione HCl

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250724 100mg Out of stock Inquiry
Batchno.20250613 250mg Out of stock Inquiry
  • Product code: SSC-092562
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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 1957235-66-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1957235-66-3 / 4-(2-aminoethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Standard CAS: 1957235-66-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1957235-66-3
Multi CAS
No
Molecular Formula
C15H16N4O4
Molecular Weight
316.310000
Exact Mass
316.117155
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCN
InChI
InChI=1S/C15H16N4O4/c16-6-7-17-9-3-1-2-8-12(9)15(23)19(14(8)22)10-4-5-11(20)18-13(10)21/h1-3,10,17H,4-7,16H2,(H,18,20,21)
InChIKey
WYIGFEKILOYHCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
80.66
TPSA
121.6

LogP / Solubility

WLOGP
-0.54
MLOGP
-0.46
XLogP3
-0.1
Consensus LogP
-0.37
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-5.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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