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CAS 1957236-21-3 E3 ligase Ligand-Linker Conjugates 14 molecular structure lightbox
CAS RN: 1957236-21-3

E3 ligase Ligand-Linker Conjugates 14

Product Availability

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6 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250531 100mg / 500mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250422 100mg Out of stock Inquiry
Batchno.20250413 10mg Out of stock Inquiry
Batchno.20250411 25mg Out of stock Inquiry
Batchno.20260611 50mg Out of stock Inquiry
Batchno.20250527 5mg Out of stock Inquiry
  • Product code: SSC-092568
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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: 0.1g
  • Available purity: ＞97%
  • 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 1957236-21-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shenzhen Inquiry

1957236-21-3 / N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid

Standard CAS: 1957236-21-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1957236-21-3
Multi CAS
No
Molecular Formula
C25H31F3N4O11
Molecular Weight
620.500000
Exact Mass
620.194142
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCOCCOCCOCCN.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C23H30N4O9.C2HF3O2/c24-6-8-33-10-12-35-13-11-34-9-7-25-19(29)14-36-17-3-1-2-15-20(17)23(32)27(22(15)31)16-4-5-18(28)26-21(16)30;3-2(4,5)1(6)7/h1-3,16H,4-14,24H2,(H,25,29)(H,26,28,30);(H,6,7)
InChIKey
BLYRZYHKZRITLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
15
H-bond acceptors
11
H-bond donors
4
Molar refractivity
136.82
TPSA
212.89

LogP / Solubility

WLOGP
-0.78
MLOGP
-0.63
XLogP3
-0.78
Consensus LogP
-0.73
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly 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)
-7.06

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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