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CAS 1799711-25-3 N-(4-aminobutyl)-2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamide TFA salt molecular structure lightbox
CAS RN: 1799711-25-3

N-(4-aminobutyl)-2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamide TFA salt

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251222 100mg In stock Shanghai Inquiry
Batchno.20250219 250mg In stock Shanghai Inquiry
Batchno.20250202 25mg In stock Shanghai Inquiry
Batchno.20260313 50mg In stock Shanghai Inquiry
  • Product code: SSC-080333
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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: 0.25g
  • 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 1799711-25-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1799711-25-3 / N-(4-aminobutyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid

Standard CAS: 1799711-25-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1799711-25-3
Multi CAS
No
Molecular Formula
C21H23F3N4O8
Molecular Weight
516.400000
Exact Mass
516.146798
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCCCN.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C19H22N4O6.C2HF3O2/c20-8-1-2-9-21-15(25)10-29-13-5-3-4-11-16(13)19(28)23(18(11)27)12-6-7-14(24)22-17(12)26;3-2(4,5)1(6)7/h3-5,12H,1-2,6-10,20H2,(H,21,25)(H,22,24,26);(H,6,7)
InChIKey
XVUPBWSTMLHSHM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
4
Molar refractivity
113.6
TPSA
185.2

LogP / Solubility

WLOGP
-0.04
XLogP3
-0.04
Consensus LogP
-0.03
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-5.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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