![CAS 2204246-03-5 5,8,11-Trioxa-2-azatridecanoic acid, 13-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2204246-03-5.gif)
CAS RN: 2204246-03-5
5,8,11-Trioxa-2-azatridecanoic acid, 13-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]-, 1,1-dimethylethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260613 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2204246-03-5
- Purity/Analytical Methods: >99.0%
2204246-03-5 / tert-butyl N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Basic Information
CAS
2204246-03-5
Multi CAS
No
Molecular Formula
C26H36N4O9
Molecular Weight
548.600000
Exact Mass
548.248229
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C26H36N4O9/c1-26(2,3)39-25(35)28-10-12-37-14-16-38-15-13-36-11-9-27-18-6-4-5-17-21(18)24(34)30(23(17)33)19-7-8-20(31)29-22(19)32/h4-6,19,27H,7-16H2,1-3H3,(H,28,35)(H,29,31,32)
InChIKey
ZAQGFFFSCSRSDJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
14
H-bond acceptors
10
H-bond donors
3
Molar refractivity
138.3
TPSA
161.6
LogP / Solubility
WLOGP
1.07
MLOGP
0.99
XLogP3
0.9
Consensus LogP
0.99
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
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)
-5.3
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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