CAS RN: 2204226-02-6
Thalidomide-linker 13
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-106033
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
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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2204226-02-6 / N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochloride
Basic Information
CAS
2204226-02-6
Multi CAS
No
Molecular Formula
C19H23ClN4O7
Molecular Weight
454.900000
Exact Mass
454.125527
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCOCCN.Cl
InChI
InChI=1S/C19H22N4O7.ClH/c20-6-8-29-9-7-21-15(25)10-30-13-3-1-2-11-16(13)19(28)23(18(11)27)12-4-5-14(24)22-17(12)26;/h1-3,12H,4-10,20H2,(H,21,25)(H,22,24,26);1H
InChIKey
IPEHZYDONNHUEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
3
Molar refractivity
108.74
TPSA
157.13
LogP / Solubility
WLOGP
-1.02
MLOGP
-0.87
XLogP3
-1.02
Consensus LogP
-0.97
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-6.22
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
3
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