CAS RN: 2097509-36-7
Thalidomide-NH-PEG2-C2-NH2 (TFA)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251104 | 25mg | Out of stock | Inquiry |
- Product code: SSC-099551
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 | Beijing | Inquiry |
2097509-36-7 / 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
Basic Information
CAS
2097509-36-7
Multi CAS
No
Molecular Formula
C21H25F3N4O8
Molecular Weight
518.400000
Exact Mass
518.162448
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCN.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C19H24N4O6.C2HF3O2/c20-6-8-28-10-11-29-9-7-21-13-3-1-2-12-16(13)19(27)23(18(12)26)14-4-5-15(24)22-17(14)25;3-2(4,5)1(6)7/h1-3,14,21H,4-11,20H2,(H,22,24,25);(H,6,7)
InChIKey
MKEOTJQAATZPDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
10
H-bond acceptors
9
H-bond donors
4
Molar refractivity
115.99
TPSA
177.36
LogP / Solubility
WLOGP
0.12
MLOGP
0.15
XLogP3
0.12
Consensus LogP
0.13
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.33
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)
-5.79
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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