CAS RN: 2411681-89-3
Thalidomide-O-amido-PEG4-azide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20250512 |
250mg |
Out of stock |
15 business days | Inquiry |
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Product code:
starshine_CAS2411681-89-3
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Purity/Analytical Methods:
>99.0%
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2411681-89-3 / N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
Standard CAS: 2411681-89-3
Multi CAS: No
Basic Information
CAS
2411681-89-3
Multi CAS
No
Molecular Formula
C25H32N6O10
Molecular Weight
576.600000
Exact Mass
576.217991
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C25H32N6O10/c26-30-28-7-9-38-11-13-40-15-14-39-12-10-37-8-6-27-21(33)16-41-19-3-1-2-17-22(19)25(36)31(24(17)35)18-4-5-20(32)29-23(18)34/h1-3,18H,4-16H2,(H,27,33)(H,29,32,34)
InChIKey
XECAZVOTJVYNEM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
19
H-bond acceptors
11
H-bond donors
2
Molar refractivity
138.91
TPSA
207.56
LogP / Solubility
WLOGP
-0.04
MLOGP
0.01
XLogP3
-0.2
Consensus LogP
-0.08
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.27
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5