CAS RN: 1818885-63-0
4-((2-(2-(2-(2-(4-aminophenoxy)ethoxy)ethoxy)ethoxy)ethyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251105 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250301 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250708 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250127 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251016 | 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250414 | 50mg | In stock | Shanghai | Inquiry |
- Product code: SSC-082714
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1818885-63-0 / 4-[2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Basic Information
CAS
1818885-63-0
Multi CAS
No
Molecular Formula
C27H32N4O8
Molecular Weight
540.600000
Exact Mass
540.222014
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCOC4=CC=C(C=C4)N
InChI
InChI=1S/C27H32N4O8/c28-18-4-6-19(7-5-18)39-17-16-38-15-14-37-13-12-36-11-10-29-21-3-1-2-20-24(21)27(35)31(26(20)34)22-8-9-23(32)30-25(22)33/h1-7,22,29H,8-17,28H2,(H,30,32,33)
InChIKey
QTFDOBJYFQFDIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
15
H-bond acceptors
10
H-bond donors
3
Molar refractivity
140.41
TPSA
158.52
LogP / Solubility
WLOGP
1.21
MLOGP
1.11
XLogP3
1.2
Consensus LogP
1.17
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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