CAS RN: 1950635-16-1
E3 ligase Ligand-Linker Conjugates 17
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250626 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260215 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260215 | 1mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250219 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260415 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250322 | 500mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260518 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260330 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1950635-16-1
- Purity/Analytical Methods: >99.0%
1950635-16-1 / N-(8-aminooctyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid
Basic Information
CAS
1950635-16-1
Multi CAS
No
Molecular Formula
C25H31F3N4O8
Molecular Weight
572.500000
Exact Mass
572.209398
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCCCCCCCN.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C23H30N4O6.C2HF3O2/c24-12-5-3-1-2-4-6-13-25-19(29)14-33-17-9-7-8-15-20(17)23(32)27(22(15)31)16-10-11-18(28)26-21(16)30;3-2(4,5)1(6)7/h7-9,16H,1-6,10-14,24H2,(H,25,29)(H,26,28,30);(H,6,7)
InChIKey
AJVLNIUPDHKOPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
4
Molar refractivity
132.07
TPSA
185.2
LogP / Solubility
WLOGP
1.52
MLOGP
1.38
XLogP3
1.52
Consensus LogP
1.47
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.14
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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