CAS RN: 1950635-14-9
E3 Ligase Ligand-Linker Conjugates 25 Trifluoroacetate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251010 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-091985
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: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1950635-14-9 / N-(6-aminohexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid
Basic Information
CAS
1950635-14-9
Multi CAS
No
Molecular Formula
C23H27F3N4O8
Molecular Weight
544.500000
Exact Mass
544.178098
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCCCCCN.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C21H26N4O6.C2HF3O2/c22-10-3-1-2-4-11-23-17(27)12-31-15-7-5-6-13-18(15)21(30)25(20(13)29)14-8-9-16(26)24-19(14)28;3-2(4,5)1(6)7/h5-7,14H,1-4,8-12,22H2,(H,23,27)(H,24,26,28);(H,6,7)
InChIKey
KNNGJZWEJKPKSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
4
Molar refractivity
122.83
TPSA
185.2
LogP / Solubility
WLOGP
0.74
MLOGP
0.69
XLogP3
0.74
Consensus LogP
0.72
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
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)
-5.52
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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- CAS RN: 1950635-16-1
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Carbamic acid, N-[8-[[2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]acetyl]amino]octyl]-, 1,1-dimethylethyl ester
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Acetic acid, 2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]-, 1,1-dimethylethyl ester
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